[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C18H23N7O2 — CID 171346803

IUPAC[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nccc4[nH]cnc34)n[nH]2)C1
InChIInChI=1S/C18H23N7O2/c1-10(2)22-18(26)27-12-4-3-11(7-12)14-8-15(25-24-14)23-17-16-13(5-6-19-17)20-9-21-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,21)(H,22,26)(H2,19,23,24,25)/t11-,12+/m0/s1
InChIKeyKBDKBXAHCABTNJ-NWDGAFQWSA-N
MW369.43 g/mol
LogP3.20
Rot. Bonds5

About [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 171346803) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID171346803
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nccc4[nH]cnc34)n[nH]2)C1
InChIInChI=1S/C18H23N7O2/c1-10(2)22-18(26)27-12-4-3-11(7-12)14-8-15(25-24-14)23-17-16-13(5-6-19-17)20-9-21-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,21)(H,22,26)(H2,19,23,24,25)/t11-,12+/m0/s1
InChIKeyKBDKBXAHCABTNJ-NWDGAFQWSA-N
XLogP3.20
TPSA120.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate
CID 86766005
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118380963
US11014911, Example 46
CID 162369147
US11014911, Example 47
CID 162369148
(1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate
CID 166625091
[(1R,3S)-3-[2-(2-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169981532
US11014911, Example 354
CID 154616521
US11014911, Example 191
CID 154616830
US11014911, Example 357
CID 154616890
(7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one
CID 171350301
methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate
CID 45107808
3-(3,3-difluoroazetidin-1-yl)propyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate
CID 58494352

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 171346803) is [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nccc4[nH]cnc34)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is KBDKBXAHCABTNJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-10(2)22-18(26)27-12-4-3-11(7-12)14-8-15(25-24-14)23-17-16-13(5-6-19-17)20-9-21-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,21)(H,22,26)(H2,19,23,24,25)/t11-,12+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 369.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 171346803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).