[5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C22H26N6O4 — CID 164880207

IUPAC[5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCC1(C)NC(=O)c2ccc(Nc3cc(C4CC(OC(=O)NC56CC(C5)C6)CO4)[nH]n3)nc21
InChIInChI=1S/C22H26N6O4/c1-21(2)18-13(19(29)25-21)3-4-16(24-18)23-17-6-14(27-28-17)15-5-12(10-31-15)32-20(30)26-22-7-11(8-22)9-22/h3-4,6,11-12,15H,5,7-10H2,1-2H3,(H,25,29)(H,26,30)(H2,23,24,27,28)
InChIKeyXXVBOYPUDYODDA-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.64
Rot. Bonds5

About [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 164880207) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID164880207
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name[5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCC1(C)NC(=O)c2ccc(Nc3cc(C4CC(OC(=O)NC56CC(C5)C6)CO4)[nH]n3)nc21
InChIInChI=1S/C22H26N6O4/c1-21(2)18-13(19(29)25-21)3-4-16(24-18)23-17-6-14(27-28-17)15-5-12(10-31-15)32-20(30)26-22-7-11(8-22)9-22/h3-4,6,11-12,15H,5,7-10H2,1-2H3,(H,25,29)(H,26,30)(H2,23,24,27,28)
InChIKeyXXVBOYPUDYODDA-UHFFFAOYSA-N
XLogP2.64
TPSA130.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate with MolForge

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Related Compounds

[(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate
CID 171719030
[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879613
[(3S,5S)-5-[3-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141470
[5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142284
[(3S,5S)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141794
[(3R,5R)-5-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamate
CID 170071239
[(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141135
[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141013
[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141945
[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 170106279
[(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate
CID 170071001
[(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate
CID 170071305

Frequently Asked Questions

What is the IUPAC name of [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 164880207) is [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is CC1(C)NC(=O)c2ccc(Nc3cc(C4CC(OC(=O)NC56CC(C5)C6)CO4)[nH]n3)nc21.
What is the InChIKey of [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is XXVBOYPUDYODDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-21(2)18-13(19(29)25-21)3-4-16(24-18)23-17-6-14(27-28-17)15-5-12(10-31-15)32-20(30)26-22-7-11(8-22)9-22/h3-4,6,11-12,15H,5,7-10H2,1-2H3,(H,25,29)(H,26,30)(H2,23,24,27,28).
What are the key properties of [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 438.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 164880207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).