3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide

C120H129F8N25O11S — CID 157075443

IUPAC3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C3CCC2COC3)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCC(F)(F)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCS(=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@@H](CO)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@H](CO)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCc3oncc3C2)ncn1
InChIInChI=1S/C21H20FN5O2.C21H23FN4O2.2C20H23FN4O2.C19H19F3N4O.C19H21FN4O2S/c1-12(2)28-19-6-15-13(5-16(19)22)8-23-21(15)17-7-20(25-11-24-17)27-4-3-18-14(10-27)9-26-29-18;1-12(2)28-19-6-16-13(5-17(19)22)8-23-21(16)18-7-20(25-11-24-18)26-14-3-4-15(26)10-27-9-14;2*1-12(2)27-18-6-15-14(5-16(18)21)8-22-20(15)17-7-19(24-11-23-17)25-4-3-13(9-25)10-26;1-11(2)27-16-6-13-12(5-14(16)20)8-23-18(13)15-7-17(25-10-24-15)26-4-3-19(21,22)9-26;1-12(2)26-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-27(25)6-4-24/h5-7,9,11-12H,3-4,8,10H2,1-2H3;5-7,11-12,14-15H,3-4,8-10H2,1-2H3;2*5-7,11-13,26H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;7-9,11-12H,3-6,10H2,1-2H3/t;;2*13-;;/m..10../s1
InChIKeyACXNSVMXKDSGPB-JFBTVSKPSA-N
MW2281.57 g/mol
LogP17.49
Rot. Bonds26

About 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide

3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide (PubChem CID 157075443) has the molecular formula C120H129F8N25O11S and a molecular weight of 2281.57 g/mol. Its IUPAC name is 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
PubChem CID157075443
Molecular FormulaC120H129F8N25O11S
Molecular Weight2281.57 g/mol
Exact Mass2279.99
IUPAC Name3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C3CCC2COC3)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCC(F)(F)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCS(=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@@H](CO)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@H](CO)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCc3oncc3C2)ncn1
InChIInChI=1S/C21H20FN5O2.C21H23FN4O2.2C20H23FN4O2.C19H19F3N4O.C19H21FN4O2S/c1-12(2)28-19-6-15-13(5-16(19)22)8-23-21(15)17-7-20(25-11-24-17)27-4-3-18-14(10-27)9-26-29-18;1-12(2)28-19-6-16-13(5-17(19)22)8-23-21(16)18-7-20(25-11-24-18)26-14-3-4-15(26)10-27-9-14;2*1-12(2)27-18-6-15-14(5-16(18)21)8-22-20(15)17-7-19(24-11-23-17)25-4-3-13(9-25)10-26;1-11(2)27-16-6-13-12(5-14(16)20)8-23-18(13)15-7-17(25-10-24-15)26-4-3-19(21,22)9-26;1-12(2)26-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-27(25)6-4-24/h5-7,9,11-12H,3-4,8,10H2,1-2H3;5-7,11-12,14-15H,3-4,8-10H2,1-2H3;2*5-7,11-13,26H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;7-9,11-12H,3-6,10H2,1-2H3/t;;2*13-;;/m..10../s1
InChIKeyACXNSVMXKDSGPB-JFBTVSKPSA-N
XLogP17.49
TPSA396.45 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002281.57
LogP ≤ 517.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide with MolForge

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Related Compounds

4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 146914043
(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 157362787
(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
CID 157289852
(2S)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 157387812
1-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 147379339
6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 148663738
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
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
2-[4-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 123190556
(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
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(furan-3-yl)-1H-isoindole
CID 161136577

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide (CID 157075443) is 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide is CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C3CCC2COC3)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCC(F)(F)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCS(=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@@H](CO)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@H](CO)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCc3oncc3C2)ncn1.
What is the InChIKey of 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The InChIKey is ACXNSVMXKDSGPB-JFBTVSKPSA-N. The full InChI is InChI=1S/C21H20FN5O2.C21H23FN4O2.2C20H23FN4O2.C19H19F3N4O.C19H21FN4O2S/c1-12(2)28-19-6-15-13(5-16(19)22)8-23-21(15)17-7-20(25-11-24-17)27-4-3-18-14(10-27)9-26-29-18;1-12(2)28-19-6-16-13(5-17(19)22)8-23-21(16)18-7-20(25-11-24-18)26-14-3-4-15(26)10-27-9-14;2*1-12(2)27-18-6-15-14(5-16(18)21)8-22-20(15)17-7-19(24-11-23-17)25-4-3-13(9-25)10-26;1-11(2)27-16-6-13-12(5-14(16)20)8-23-18(13)15-7-17(25-10-24-15)26-4-3-19(21,22)9-26;1-12(2)26-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-27(25)6-4-24/h5-7,9,11-12H,3-4,8,10H2,1-2H3;5-7,11-12,14-15H,3-4,8-10H2,1-2H3;2*5-7,11-13,26H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;7-9,11-12H,3-6,10H2,1-2H3/t;;2*13-;;/m..10../s1.
What are the key properties of 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide has a molecular weight of 2281.57 g/mol, XLogP of 17.49, 26 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;5-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;8-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;[(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 157075443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).