[(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C18H24N6O3 — CID 168895011

IUPAC[(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOc1nccc(Nc2cc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
InChIInChI=1S/C18H24N6O3/c1-18(6-7-18)22-17(25)27-12-4-3-11(9-12)13-10-15(24-23-13)20-14-5-8-19-16(21-14)26-2/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,22,25)(H2,19,20,21,23,24)/t11-,12+/m1/s1
InChIKeyAILCRVZOLXYMSZ-NEPJUHHUSA-N
MW372.43 g/mol
LogP2.87
Rot. Bonds6

About [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 168895011) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID168895011
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name[(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOc1nccc(Nc2cc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
InChIInChI=1S/C18H24N6O3/c1-18(6-7-18)22-17(25)27-12-4-3-11(9-12)13-10-15(24-23-13)20-14-5-8-19-16(21-14)26-2/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,22,25)(H2,19,20,21,23,24)/t11-,12+/m1/s1
InChIKeyAILCRVZOLXYMSZ-NEPJUHHUSA-N
XLogP2.87
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 168895011) is [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is COc1nccc(Nc2cc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1.
What is the InChIKey of [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is AILCRVZOLXYMSZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-18(6-7-18)22-17(25)27-12-4-3-11(9-12)13-10-15(24-23-13)20-14-5-8-19-16(21-14)26-2/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,22,25)(H2,19,20,21,23,24)/t11-,12+/m1/s1.
What are the key properties of [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 372.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 168895011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).