3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C80H97N23O8S — CID 159953800

IUPAC3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N(C)Cc2cccnc2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ncn1.COCCN(C)c1cc(C2=NCc3cnc(OC(C)C)cc32)ncn1
InChIInChI=1S/C21H26N6O3S.C21H22N6O.C20H26N6O2.C18H23N5O2/c1-14(2)30-20-12-17-18(13-23-20)24-25-21(17)15-5-6-22-19(11-15)26-7-9-27(10-8-26)31(28,29)16-3-4-16;1-14(2)28-20-7-17-16(10-23-20)11-24-21(17)18-8-19(26-13-25-18)27(3)12-15-5-4-6-22-9-15;1-12(2)28-19-5-14-13(7-21-19)8-22-20(14)15-6-18(24-11-23-15)26-9-16(25(3)4)17(27)10-26;1-12(2)25-17-7-14-13(9-19-17)10-20-18(14)15-8-16(22-11-21-15)23(3)5-6-24-4/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,24,25);4-10,13-14H,11-12H2,1-3H3;5-7,11-12,16-17,27H,8-10H2,1-4H3;7-9,11-12H,5-6,10H2,1-4H3/t;;16-,17-;/m..0./s1
InChIKeyOCLNAGBWLAHVDB-DSAHZBMQSA-N
MW1540.88 g/mol
LogP8.68
Rot. Bonds24

About 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 159953800) has the molecular formula C80H97N23O8S and a molecular weight of 1540.88 g/mol. Its IUPAC name is 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID159953800
Molecular FormulaC80H97N23O8S
Molecular Weight1540.88 g/mol
Exact Mass1539.76
IUPAC Name3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N(C)Cc2cccnc2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ncn1.COCCN(C)c1cc(C2=NCc3cnc(OC(C)C)cc32)ncn1
InChIInChI=1S/C21H26N6O3S.C21H22N6O.C20H26N6O2.C18H23N5O2/c1-14(2)30-20-12-17-18(13-23-20)24-25-21(17)15-5-6-22-19(11-15)26-7-9-27(10-8-26)31(28,29)16-3-4-16;1-14(2)28-20-7-17-16(10-23-20)11-24-21(17)18-8-19(26-13-25-18)27(3)12-15-5-4-6-22-9-15;1-12(2)28-19-5-14-13(7-21-19)8-22-20(14)15-6-18(24-11-23-15)26-9-16(25(3)4)17(27)10-26;1-12(2)25-17-7-14-13(9-19-17)10-20-18(14)15-8-16(22-11-21-15)23(3)5-6-24-4/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,24,25);4-10,13-14H,11-12H2,1-3H3;5-7,11-12,16-17,27H,8-10H2,1-4H3;7-9,11-12H,5-6,10H2,1-4H3/t;;16-,17-;/m..0./s1
InChIKeyOCLNAGBWLAHVDB-DSAHZBMQSA-N
XLogP8.68
TPSA340.40 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.88
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine with MolForge

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Related Compounds

4-[5-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-[(1R,5S)-8-(2,2-difluoropropyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-phenoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157980574
[4-[[2-[[2-(1-Cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
CID 167426376
N-[5-[4-[[(1S)-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]ethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 78321892
3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 117918179
(3S,4S)-4-(dimethylamino)-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 117918200
(3S,4S)-4-(dimethylamino)-1-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 117918327
5-propan-2-yloxy-3-[2-(4-propylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 121476662
3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 121476663
5-propan-2-yloxy-3-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 121476664
5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 121476666
5-propan-2-yloxy-3-[2-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 121476667
3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 121476668

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 159953800) is 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N(C)Cc2cccnc2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ncn1.COCCN(C)c1cc(C2=NCc3cnc(OC(C)C)cc32)ncn1.
What is the InChIKey of 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is OCLNAGBWLAHVDB-DSAHZBMQSA-N. The full InChI is InChI=1S/C21H26N6O3S.C21H22N6O.C20H26N6O2.C18H23N5O2/c1-14(2)30-20-12-17-18(13-23-20)24-25-21(17)15-5-6-22-19(11-15)26-7-9-27(10-8-26)31(28,29)16-3-4-16;1-14(2)28-20-7-17-16(10-23-20)11-24-21(17)18-8-19(26-13-25-18)27(3)12-15-5-4-6-22-9-15;1-12(2)28-19-5-14-13(7-21-19)8-22-20(14)15-6-18(24-11-23-15)26-9-16(25(3)4)17(27)10-26;1-12(2)25-17-7-14-13(9-19-17)10-20-18(14)15-8-16(22-11-21-15)23(3)5-6-24-4/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,24,25);4-10,13-14H,11-12H2,1-3H3;5-7,11-12,16-17,27H,8-10H2,1-4H3;7-9,11-12H,5-6,10H2,1-4H3/t;;16-,17-;/m..0./s1.
What are the key properties of 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 1540.88 g/mol, XLogP of 8.68, 24 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;N-(2-methoxyethyl)-N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-amine;N-methyl-6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 159953800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).