[(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C18H22N6O4 — CID 170623830

IUPAC[(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4oc(=O)[nH]c4n3)n[nH]2)C1
InChIInChI=1S/C18H22N6O4/c1-9(2)19-17(25)27-11-4-3-10(7-11)12-8-15(24-23-12)20-14-6-5-13-16(21-14)22-18(26)28-13/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,25)(H3,20,21,22,23,24,26)/t10-,11+/m0/s1
InChIKeyXLNCSEXMWOTYHF-WDEREUQCSA-N
MW386.41 g/mol
LogP2.75
Rot. Bonds5

About [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 170623830) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID170623830
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name[(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4oc(=O)[nH]c4n3)n[nH]2)C1
InChIInChI=1S/C18H22N6O4/c1-9(2)19-17(25)27-11-4-3-10(7-11)12-8-15(24-23-12)20-14-6-5-13-16(21-14)22-18(26)28-13/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,25)(H3,20,21,22,23,24,26)/t10-,11+/m0/s1
InChIKeyXLNCSEXMWOTYHF-WDEREUQCSA-N
XLogP2.75
TPSA137.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,3S)-3-[3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate;[(3S)-3-[3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177150701
[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176875005
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434
[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874944
[(1S,3R)-3-[3-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176714690
[(1R,3S)-3-[3-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623798
[(1R,3S)-3-[3-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623417
[3-[3-[(1-methylpyrazolo[5,4-c]pyridin-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293665
[(1R,3S)-3-[3-[(6-isocyano-3-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874992
[3-[3-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874997
[(3S)-3-[3-[(2-oxo-1,3-dihydroindol-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623677
[(1R,3S)-3-[3-([1,3]thiazolo[5,4-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 171719079

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 170623830) is [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4oc(=O)[nH]c4n3)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is XLNCSEXMWOTYHF-WDEREUQCSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-9(2)19-17(25)27-11-4-3-10(7-11)12-8-15(24-23-12)20-14-6-5-13-16(21-14)22-18(26)28-13/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,25)(H3,20,21,22,23,24,26)/t10-,11+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 386.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170623830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).