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

C23H29N7O3 — CID 121409079

IUPACN-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OCC2CCCO2)n1
InChIInChI=1S/C23H29N7O3/c1-2-24-22(31)18-13-19(27-23(26-18)33-14-16-5-4-12-32-16)30-10-7-15(8-11-30)20-17-6-3-9-25-21(17)29-28-20/h3,6,9,13,15-16H,2,4-5,7-8,10-12,14H2,1H3,(H,24,31)(H,25,28,29)
InChIKeySUZHRKFMSULVDJ-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.44
Rot. Bonds7

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

N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 121409079) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID121409079
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OCC2CCCO2)n1
InChIInChI=1S/C23H29N7O3/c1-2-24-22(31)18-13-19(27-23(26-18)33-14-16-5-4-12-32-16)30-10-7-15(8-11-30)20-17-6-3-9-25-21(17)29-28-20/h3,6,9,13,15-16H,2,4-5,7-8,10-12,14H2,1H3,(H,24,31)(H,25,28,29)
InChIKeySUZHRKFMSULVDJ-UHFFFAOYSA-N
XLogP2.44
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
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
N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2S,5S)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 121409146
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-(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
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
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
[(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
(3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 121409299
1-[[4-(3-fluoroazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 121426677
N-(cyclopropylmethyl)-4-methoxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 145103344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 121409079) is N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is CCNC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OCC2CCCO2)n1.
What is the InChIKey of N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is SUZHRKFMSULVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-2-24-22(31)18-13-19(27-23(26-18)33-14-16-5-4-12-32-16)30-10-7-15(8-11-30)20-17-6-3-9-25-21(17)29-28-20/h3,6,9,13,15-16H,2,4-5,7-8,10-12,14H2,1H3,(H,24,31)(H,25,28,29).
What are the key properties of N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).