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

C25H33N7O4 — CID 121409146

IUPACN-[(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
SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OC[C@@H]2CC[C@H](C)O2)n1
InChIInChI=1S/C25H33N7O4/c1-15(13-33)27-24(34)20-12-21(29-25(28-20)35-14-18-6-5-16(2)36-18)32-10-7-17(8-11-32)22-19-4-3-9-26-23(19)31-30-22/h3-4,9,12,15-18,33H,5-8,10-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31)/t15-,16+,18+/m1/s1
InChIKeyHVRUMSDTGASWQI-RYRKJORJSA-N
MW495.58 g/mol
LogP2.19
Rot. Bonds8

About 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

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 (PubChem CID 121409146) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID121409146
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC NameN-[(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
SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OC[C@@H]2CC[C@H](C)O2)n1
InChIInChI=1S/C25H33N7O4/c1-15(13-33)27-24(34)20-12-21(29-25(28-20)35-14-18-6-5-16(2)36-18)32-10-7-17(8-11-32)22-19-4-3-9-26-23(19)31-30-22/h3-4,9,12,15-18,33H,5-8,10-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31)/t15-,16+,18+/m1/s1
InChIKeyHVRUMSDTGASWQI-RYRKJORJSA-N
XLogP2.19
TPSA138.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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
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]-N-[3-[(5R)-5-[[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]oxolan-3-yl]-1-bicyclo[1.1.1]pentanyl]-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 126683928
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
(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
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
2-(cyclopropylmethoxy)-N-[(2R)-1-(dimethylamino)propan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 121409404
2-[(1-ethynylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 126680679
[(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
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-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 126683869

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](CO)NC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OC[C@@H]2CC[C@H](C)O2)n1.
What is the InChIKey of 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?
The InChIKey is HVRUMSDTGASWQI-RYRKJORJSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-15(13-33)27-24(34)20-12-21(29-25(28-20)35-14-18-6-5-16(2)36-18)32-10-7-17(8-11-32)22-19-4-3-9-26-23(19)31-30-22/h3-4,9,12,15-18,33H,5-8,10-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31)/t15-,16+,18+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 495.58 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121409146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).