[(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate

C23H34N6O3 — CID 176874981

IUPAC[(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(=O)Nc1ccc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)nn2C(C)(C)C)nc1
InChIInChI=1S/C23H34N6O3/c1-14(2)25-22(31)32-18-9-7-16(11-18)19-12-21(29(28-19)23(4,5)6)27-20-10-8-17(13-24-20)26-15(3)30/h8,10,12-14,16,18H,7,9,11H2,1-6H3,(H,24,27)(H,25,31)(H,26,30)/t16-,18+/m0/s1
InChIKeyQFZGBGCXNHPNIT-FUHWJXTLSA-N
MW442.56 g/mol
LogP4.51
Rot. Bonds6

About [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 176874981) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID176874981
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC Name[(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(=O)Nc1ccc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)nn2C(C)(C)C)nc1
InChIInChI=1S/C23H34N6O3/c1-14(2)25-22(31)32-18-9-7-16(11-18)19-12-21(29(28-19)23(4,5)6)27-20-10-8-17(13-24-20)26-15(3)30/h8,10,12-14,16,18H,7,9,11H2,1-6H3,(H,24,27)(H,25,31)(H,26,30)/t16-,18+/m0/s1
InChIKeyQFZGBGCXNHPNIT-FUHWJXTLSA-N
XLogP4.51
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate 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-[1-tert-butyl-5-[(6-cyano-3-pyridinyl)amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076231
[(1R,3S)-3-[1-tert-butyl-5-[[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-pyridinyl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076339
[(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 164880351
[(1R,3S)-3-[1-tert-butyl-5-[3-fluoro-4-(methylsulfonimidoyl)anilino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076168
[(1R,3S)-3-[1-tert-butyl-5-(oxane-4-carbonylamino)pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170072754
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616674
[(1S,3R)-3-[1-tert-butyl-5-[(1-undec-10-ynylpyrazole-4-carbonyl)amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 166118157
[3-[1-tert-butyl-5-[[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]pyrazole-4-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 175804438
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434
[(1S,3R)-3-[5-[4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]anilino]pyrazin-2-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176902417
[(1R,3S)-3-[1-tert-butyl-5-[[2-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]pyrazol-4-yl]acetyl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170982922
[(1R,3S)-3-[3-[(6-isocyano-3-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874992

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 176874981) is [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(=O)Nc1ccc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)nn2C(C)(C)C)nc1.
What is the InChIKey of [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is QFZGBGCXNHPNIT-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-14(2)25-22(31)32-18-9-7-16(11-18)19-12-21(29(28-19)23(4,5)6)27-20-10-8-17(13-24-20)26-15(3)30/h8,10,12-14,16,18H,7,9,11H2,1-6H3,(H,24,27)(H,25,31)(H,26,30)/t16-,18+/m0/s1.
What are the key properties of [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 442.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 176874981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).