[8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate

C18H21N7O3 — CID 67238200

IUPAC[8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate
SMILESCNc1nc(C)c2cc(OC(=O)Nc3ccn[nH]3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C18H21N7O3/c1-10-12-9-13(28-18(27)22-14-7-8-20-24-14)16(26)25(11-5-3-4-6-11)15(12)23-17(19-2)21-10/h7-9,11H,3-6H2,1-2H3,(H,19,21,23)(H2,20,22,24,27)
InChIKeyPGPUCBOUAAQRQZ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.59
Rot. Bonds4

About [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate

[8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate (PubChem CID 67238200) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Name[8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate
PubChem CID67238200
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name[8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate
SMILESCNc1nc(C)c2cc(OC(=O)Nc3ccn[nH]3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C18H21N7O3/c1-10-12-9-13(28-18(27)22-14-7-8-20-24-14)16(26)25(11-5-3-4-6-11)15(12)23-17(19-2)21-10/h7-9,11H,3-6H2,1-2H3,(H,19,21,23)(H2,20,22,24,27)
InChIKeyPGPUCBOUAAQRQZ-UHFFFAOYSA-N
XLogP2.59
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 25096679
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606
8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 25096434
methyl 4-[(8-cyclohexyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-1-methylpyrrole-2-carboxylate
CID 11567408
N-(1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 65023446
N-(1H-pyrazol-5-yl)cycloheptanecarboxamide
CID 60616368
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259015
2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71131657
(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 95299279
4-[(8-cyclohexyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-1-methylpyrrole-2-carboxylic acid
CID 11523774
8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;dihydrochloride
CID 68605600
6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 163366195

Frequently Asked Questions

What is the IUPAC name of [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate?
The IUPAC name of [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate (CID 67238200) is [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate?
The canonical SMILES for [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate is CNc1nc(C)c2cc(OC(=O)Nc3ccn[nH]3)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate?
The InChIKey is PGPUCBOUAAQRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-10-12-9-13(28-18(27)22-14-7-8-20-24-14)16(26)25(11-5-3-4-6-11)15(12)23-17(19-2)21-10/h7-9,11H,3-6H2,1-2H3,(H,19,21,23)(H2,20,22,24,27).
What are the key properties of [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate?
[8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate has a molecular weight of 383.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl] N-(1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 67238200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).