N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide

C21H17N5O4 — CID 135551922

IUPACN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3oc2=O)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C21H17N5O4/c1-11-9-17(26(25-11)21-22-15-7-4-6-13(15)18(27)24-21)23-19(28)14-10-12-5-2-3-8-16(12)30-20(14)29/h2-3,5,8-10H,4,6-7H2,1H3,(H,23,28)(H,22,24,27)
InChIKeyFGDXQKLXALXSJW-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.11
Rot. Bonds3

About N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide (PubChem CID 135551922) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide
PubChem CID135551922
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3oc2=O)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C21H17N5O4/c1-11-9-17(26(25-11)21-22-15-7-4-6-13(15)18(27)24-21)23-19(28)14-10-12-5-2-3-8-16(12)30-20(14)29/h2-3,5,8-10H,4,6-7H2,1H3,(H,23,28)(H,22,24,27)
InChIKeyFGDXQKLXALXSJW-UHFFFAOYSA-N
XLogP2.11
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]furan-3-carboxamide
CID 136636545
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 135551878
3,5-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135551827
N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 137436427
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 136636543
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 135892262
2-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551814
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-4-nitrobenzamide
CID 135551873
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 135551869
5-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-nitrobenzamide
CID 135551875
4-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide
CID 135551816
2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551909

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide (CID 135551922) is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide is Cc1cc(NC(=O)c2cc3ccccc3oc2=O)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide?
The InChIKey is FGDXQKLXALXSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c1-11-9-17(26(25-11)21-22-15-7-4-6-13(15)18(27)24-21)23-19(28)14-10-12-5-2-3-8-16(12)30-20(14)29/h2-3,5,8-10H,4,6-7H2,1H3,(H,23,28)(H,22,24,27).
What are the key properties of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide?
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 135551922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).