1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C84H96N24O8S2 — CID 160639921

IUPAC1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccccn5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccncc5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCCCC2)ncn1
InChIInChI=1S/2C24H27N7O3S.C19H23N5O.C17H19N5O/c1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)19-5-8-26-22(13-19)30-9-11-31(12-10-30)35(32,33)16-18-3-6-25-7-4-18;1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)18-6-8-26-22(13-18)30-9-11-31(12-10-30)35(32,33)16-19-5-3-4-7-25-19;1-13(2)25-18-8-15-14(10-20-18)11-21-19(15)16-9-17(23-12-22-16)24-6-4-3-5-7-24;1-11(2)23-16-6-13-12(8-18-16)9-19-17(13)14-7-15(21-10-20-14)22-4-3-5-22/h2*3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29);8-10,12-13H,3-7,11H2,1-2H3;6-8,10-11H,3-5,9H2,1-2H3
InChIKeyRJARNTFIRXGSOL-UHFFFAOYSA-N
MW1633.99 g/mol
LogP10.93
Rot. Bonds22

About 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 160639921) has the molecular formula C84H96N24O8S2 and a molecular weight of 1633.99 g/mol. Its IUPAC name is 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID160639921
Molecular FormulaC84H96N24O8S2
Molecular Weight1633.99 g/mol
Exact Mass1632.73
IUPAC Name1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccccn5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccncc5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCCCC2)ncn1
InChIInChI=1S/2C24H27N7O3S.C19H23N5O.C17H19N5O/c1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)19-5-8-26-22(13-19)30-9-11-31(12-10-30)35(32,33)16-18-3-6-25-7-4-18;1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)18-6-8-26-22(13-18)30-9-11-31(12-10-30)35(32,33)16-19-5-3-4-7-25-19;1-13(2)25-18-8-15-14(10-20-18)11-21-19(15)16-9-17(23-12-22-16)24-6-4-3-5-7-24;1-11(2)23-16-6-13-12(8-18-16)9-19-17(13)14-7-15(21-10-20-14)22-4-3-5-22/h2*3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29);8-10,12-13H,3-7,11H2,1-2H3;6-8,10-11H,3-5,9H2,1-2H3
InChIKeyRJARNTFIRXGSOL-UHFFFAOYSA-N
XLogP10.93
TPSA361.40 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.99
LogP ≤ 510.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]pyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 121476673
3-[2-[4-(difluoromethylsulfinyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 139566326
N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-[2-(methylamino)ethoxy]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 157999146
N,N-diethyl-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-amine;1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-[6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
CID 158500821
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-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 117918009
4-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide
CID 117918036
5-propan-2-yloxy-3-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-1H-pyrazolo[3,4-c]pyridine
CID 117918089
5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 117918152
5-propan-2-yloxy-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 117918153
4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide
CID 117918178
3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 117918179

Frequently Asked Questions

What is the IUPAC name of 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 160639921) is 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is CC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccccn5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccncc5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is RJARNTFIRXGSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27N7O3S.C19H23N5O.C17H19N5O/c1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)19-5-8-26-22(13-19)30-9-11-31(12-10-30)35(32,33)16-18-3-6-25-7-4-18;1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)18-6-8-26-22(13-18)30-9-11-31(12-10-30)35(32,33)16-19-5-3-4-7-25-19;1-13(2)25-18-8-15-14(10-20-18)11-21-19(15)16-9-17(23-12-22-16)24-6-4-3-5-7-24;1-11(2)23-16-6-13-12(8-18-16)9-19-17(13)14-7-15(21-10-20-14)22-4-3-5-22/h2*3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29);8-10,12-13H,3-7,11H2,1-2H3;6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 1633.99 g/mol, XLogP of 10.93, 22 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-(6-piperidin-1-ylpyrimidin-4-yl)-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-propan-2-yloxy-3-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 160639921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).