6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide

C23H29N7O4 — CID 126683947

IUPAC6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)nc(OCC2CCCO2)n1
InChIInChI=1S/C23H29N7O4/c1-24-22(31)16-12-18(27-23(26-16)34-13-15-4-3-11-33-15)30-9-6-14(7-10-30)20-19-17(32-2)5-8-25-21(19)29-28-20/h5,8,12,14-15H,3-4,6-7,9-11,13H2,1-2H3,(H,24,31)(H,25,28,29)
InChIKeyCNVGXMZOSUJKHI-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.06
Rot. Bonds7

About 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide

6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide (PubChem CID 126683947) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide
PubChem CID126683947
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC Name6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)nc(OCC2CCCO2)n1
InChIInChI=1S/C23H29N7O4/c1-24-22(31)16-12-18(27-23(26-16)34-13-15-4-3-11-33-15)30-9-6-14(7-10-30)20-19-17(32-2)5-8-25-21(19)29-28-20/h5,8,12,14-15H,3-4,6-7,9-11,13H2,1-2H3,(H,24,31)(H,25,28,29)
InChIKeyCNVGXMZOSUJKHI-UHFFFAOYSA-N
XLogP2.06
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 121409079
(3,3-difluoropyrrolidin-1-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 121409628
N-(oxetan-3-yl)-4-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 139397976
N-[(1S)-2-aminocyclopentyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 126683938
4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
CID 121409171
N-(1-bicyclo[1.1.1]pentanyl)-2-[(2R)-2-hydroxypropoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 121408988
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]-1,3,5-triazine-2-carboxamide
CID 126683794
2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 121409557
(3R)-1-[2-[(2S)-2-methoxypropoxy]-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-3-methylpentan-1-one
CID 160906220
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 139397940
2-[(1-cyanocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]pyrimidine-4-carboxamide
CID 126680814

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide (CID 126683947) is 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide is CNC(=O)c1cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)nc(OCC2CCCO2)n1.
What is the InChIKey of 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide?
The InChIKey is CNVGXMZOSUJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-24-22(31)16-12-18(27-23(26-16)34-13-15-4-3-11-33-15)30-9-6-14(7-10-30)20-19-17(32-2)5-8-25-21(19)29-28-20/h5,8,12,14-15H,3-4,6-7,9-11,13H2,1-2H3,(H,24,31)(H,25,28,29).
What are the key properties of 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide?
6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-methyl-2-(oxolan-2-ylmethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 126683947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).