6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide

C25H29N11O2 — CID 167444117

IUPAC6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCOCC23CC3)cc1Nc1nn(C)c2nc(Nc3cncnc3)ncc12
InChIInChI=1S/C25H29N11O2/c1-16-20(9-17(10-29-16)23(37)28-5-6-36-7-8-38-14-25(36)3-4-25)32-21-19-13-30-24(33-22(19)35(2)34-21)31-18-11-26-15-27-12-18/h9-13,15H,3-8,14H2,1-2H3,(H,28,37)(H,32,34)(H,30,31,33)
InChIKeyZCJBOSRVOUBAKY-UHFFFAOYSA-N
MW515.58 g/mol
LogP1.94
Rot. Bonds8

About 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide

6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 167444117) has the molecular formula C25H29N11O2 and a molecular weight of 515.58 g/mol. Its IUPAC name is 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID167444117
Molecular FormulaC25H29N11O2
Molecular Weight515.58 g/mol
Exact Mass515.25
IUPAC Name6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCOCC23CC3)cc1Nc1nn(C)c2nc(Nc3cncnc3)ncc12
InChIInChI=1S/C25H29N11O2/c1-16-20(9-17(10-29-16)23(37)28-5-6-36-7-8-38-14-25(36)3-4-25)32-21-19-13-30-24(33-22(19)35(2)34-21)31-18-11-26-15-27-12-18/h9-13,15H,3-8,14H2,1-2H3,(H,28,37)(H,32,34)(H,30,31,33)
InChIKeyZCJBOSRVOUBAKY-UHFFFAOYSA-N
XLogP1.94
TPSA147.90 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(4-{4-Morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
CID 44182308
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58368041
GSK-3|A inhibitor 13
CID 134551592
Pyrazolo pyrimidine, 5v
CID 44520825
Ethyl 2-[5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]acetate
CID 53328448
6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328633
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
4-(azetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538147
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
CID 71538688
Jqez5
CID 121322599
1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 11775013
5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 44450009

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide (CID 167444117) is 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCOCC23CC3)cc1Nc1nn(C)c2nc(Nc3cncnc3)ncc12.
What is the InChIKey of 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is ZCJBOSRVOUBAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N11O2/c1-16-20(9-17(10-29-16)23(37)28-5-6-36-7-8-38-14-25(36)3-4-25)32-21-19-13-30-24(33-22(19)35(2)34-21)31-18-11-26-15-27-12-18/h9-13,15H,3-8,14H2,1-2H3,(H,28,37)(H,32,34)(H,30,31,33).
What are the key properties of 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide?
6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 515.58 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 167444117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).