[(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate

C24H32N6O4 — CID 170070983

IUPAC[(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate
SMILESCn1nc(C2CC2)cc1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)N[C@H]3COC4(CCC4)C3)C2)[nH]n1
InChIInChI=1S/C24H32N6O4/c1-30-20(10-19(29-30)14-3-4-14)22(31)26-21-11-18(27-28-21)15-5-6-17(9-15)34-23(32)25-16-12-24(33-13-16)7-2-8-24/h10-11,14-17H,2-9,12-13H2,1H3,(H,25,32)(H2,26,27,28,31)/t15-,16+,17+/m0/s1
InChIKeyIVXGJYIOHYGIRB-GVDBMIGSSA-N
MW468.56 g/mol
LogP3.35
Rot. Bonds6

About [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate

[(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate (PubChem CID 170070983) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate
PubChem CID170070983
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name[(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate
SMILESCn1nc(C2CC2)cc1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)N[C@H]3COC4(CCC4)C3)C2)[nH]n1
InChIInChI=1S/C24H32N6O4/c1-30-20(10-19(29-30)14-3-4-14)22(31)26-21-11-18(27-28-21)15-5-6-17(9-15)34-23(32)25-16-12-24(33-13-16)7-2-8-24/h10-11,14-17H,2-9,12-13H2,1H3,(H,25,32)(H2,26,27,28,31)/t15-,16+,17+/m0/s1
InChIKeyIVXGJYIOHYGIRB-GVDBMIGSSA-N
XLogP3.35
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate 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

[(1R,3S)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate
CID 170070950
[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate
CID 170073133
[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170952374
[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616406
[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
CID 154616535
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 170073903
[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025571
[(1S,3R)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 154616531
[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
CID 154616537
[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
CID 154616412
[(1R,3S)-3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
CID 168894960
[(3S,5S)-5-[3-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170071152

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate?
The IUPAC name of [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate (CID 170070983) is [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate is Cn1nc(C2CC2)cc1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)N[C@H]3COC4(CCC4)C3)C2)[nH]n1.
What is the InChIKey of [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate?
The InChIKey is IVXGJYIOHYGIRB-GVDBMIGSSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-30-20(10-19(29-30)14-3-4-14)22(31)26-21-11-18(27-28-21)15-5-6-17(9-15)34-23(32)25-16-12-24(33-13-16)7-2-8-24/h10-11,14-17H,2-9,12-13H2,1H3,(H,25,32)(H2,26,27,28,31)/t15-,16+,17+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate?
[(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate has a molecular weight of 468.56 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate is sourced from PubChem (CID 170070983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).