3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane

C141H168F4N32O11S — CID 158474472

IUPAC3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)[C@@H](C)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)[C@H](C)C2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC4(CCCO4)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3CCN(C)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3C[C@H](F)[C@@H](F)C3)ncn1)=NC2
InChIInChI=1S/C23H28N4O2.2C21H26FN5O.C20H24N4O2.C19H23N5O3S.C19H23N5O.C18H18F2N4O/c1-16(2)29-18-5-4-17-14-24-22(19(17)12-18)20-13-21(26-15-25-20)27-9-7-23(8-10-27)6-3-11-28-23;2*1-13(2)28-19-8-16-15(7-17(19)22)10-23-21(16)18-9-20(25-12-24-18)27-6-5-26(4)14(3)11-27;1-4-25-16-6-5-15-9-21-20(17(15)7-16)18-8-19(23-12-22-18)24-10-13(2)26-14(3)11-24;1-3-27-15-5-4-14-12-20-19(16(14)10-15)17-11-18(22-13-21-17)23-6-8-24(9-7-23)28(2,25)26;1-3-25-15-5-4-14-12-20-19(16(14)10-15)17-11-18(22-13-21-17)24-8-6-23(2)7-9-24;1-2-25-12-4-3-11-7-21-18(13(11)5-12)16-6-17(23-10-22-16)24-8-14(19)15(20)9-24/h4-5,12-13,15-16H,3,6-11,14H2,1-2H3;2*7-9,12-14H,5-6,10-11H2,1-4H3;5-8,12-14H,4,9-11H2,1-3H3;4-5,10-11,13H,3,6-9,12H2,1-2H3;4-5,10-11,13H,3,6-9,12H2,1-2H3;3-6,10,14-15H,2,7-9H2,1H3/t;2*14-;13-,14+;;;14-,15-/m.10...0/s1
InChIKeyHGTMVWGLIJYGAE-HECZGYLZSA-N
MW2595.17 g/mol
LogP18.40
Rot. Bonds29

About 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane

3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 158474472) has the molecular formula C141H168F4N32O11S and a molecular weight of 2595.17 g/mol. Its IUPAC name is 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID158474472
Molecular FormulaC141H168F4N32O11S
Molecular Weight2595.17 g/mol
Exact Mass2593.32
IUPAC Name3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)[C@@H](C)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)[C@H](C)C2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC4(CCCO4)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3CCN(C)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3C[C@H](F)[C@@H](F)C3)ncn1)=NC2
InChIInChI=1S/C23H28N4O2.2C21H26FN5O.C20H24N4O2.C19H23N5O3S.C19H23N5O.C18H18F2N4O/c1-16(2)29-18-5-4-17-14-24-22(19(17)12-18)20-13-21(26-15-25-20)27-9-7-23(8-10-27)6-3-11-28-23;2*1-13(2)28-19-8-16-15(7-17(19)22)10-23-21(16)18-9-20(25-12-24-18)27-6-5-26(4)14(3)11-27;1-4-25-16-6-5-15-9-21-20(17(15)7-16)18-8-19(23-12-22-18)24-10-13(2)26-14(3)11-24;1-3-27-15-5-4-14-12-20-19(16(14)10-15)17-11-18(22-13-21-17)23-6-8-24(9-7-23)28(2,25)26;1-3-25-15-5-4-14-12-20-19(16(14)10-15)17-11-18(22-13-21-17)24-8-6-23(2)7-9-24;1-2-25-12-4-3-11-7-21-18(13(11)5-12)16-6-17(23-10-22-16)24-8-14(19)15(20)9-24/h4-5,12-13,15-16H,3,6-11,14H2,1-2H3;2*7-9,12-14H,5-6,10-11H2,1-4H3;5-8,12-14H,4,9-11H2,1-3H3;4-5,10-11,13H,3,6-9,12H2,1-2H3;4-5,10-11,13H,3,6-9,12H2,1-2H3;3-6,10,14-15H,2,7-9H2,1H3/t;2*14-;13-,14+;;;14-,15-/m.10...0/s1
InChIKeyHGTMVWGLIJYGAE-HECZGYLZSA-N
XLogP18.40
TPSA419.83 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002595.17
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

(2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 159814170
(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 157362787
4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 146914043
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 147343969
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
(2S)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 157387812
(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 159726399
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 147980565
3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-indazole
CID 78324043
(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine
CID 158298103

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane (CID 158474472) is 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane is CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)[C@@H](C)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)[C@H](C)C2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC4(CCCO4)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3CCN(C)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.CCOc1ccc2c(c1)C(c1cc(N3C[C@H](F)[C@@H](F)C3)ncn1)=NC2.
What is the InChIKey of 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HGTMVWGLIJYGAE-HECZGYLZSA-N. The full InChI is InChI=1S/C23H28N4O2.2C21H26FN5O.C20H24N4O2.C19H23N5O3S.C19H23N5O.C18H18F2N4O/c1-16(2)29-18-5-4-17-14-24-22(19(17)12-18)20-13-21(26-15-25-20)27-9-7-23(8-10-27)6-3-11-28-23;2*1-13(2)28-19-8-16-15(7-17(19)22)10-23-21(16)18-9-20(25-12-24-18)27-6-5-26(4)14(3)11-27;1-4-25-16-6-5-15-9-21-20(17(15)7-16)18-8-19(23-12-22-18)24-10-13(2)26-14(3)11-24;1-3-27-15-5-4-14-12-20-19(16(14)10-15)17-11-18(22-13-21-17)23-6-8-24(9-7-23)28(2,25)26;1-3-25-15-5-4-14-12-20-19(16(14)10-15)17-11-18(22-13-21-17)24-8-6-23(2)7-9-24;1-2-25-12-4-3-11-7-21-18(13(11)5-12)16-6-17(23-10-22-16)24-8-14(19)15(20)9-24/h4-5,12-13,15-16H,3,6-11,14H2,1-2H3;2*7-9,12-14H,5-6,10-11H2,1-4H3;5-8,12-14H,4,9-11H2,1-3H3;4-5,10-11,13H,3,6-9,12H2,1-2H3;4-5,10-11,13H,3,6-9,12H2,1-2H3;3-6,10,14-15H,2,7-9H2,1H3/t;2*14-;13-,14+;;;14-,15-/m.10...0/s1.
What are the key properties of 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 2595.17 g/mol, XLogP of 18.40, 29 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 158474472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).