N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide

C22H17N5O4 — CID 74801838

IUPACN-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide
SMILESC=C1C(=O)N=C(n2nc(C3CC3)cc2NC(=O)c2cc(=O)c3ccccc3o2)N=C1C
InChIInChI=1S/C22H17N5O4/c1-11-12(2)23-22(25-20(11)29)27-19(9-15(26-27)13-7-8-13)24-21(30)18-10-16(28)14-5-3-4-6-17(14)31-18/h3-6,9-10,13H,1,7-8H2,2H3,(H,24,30)
InChIKeyNQVDDCNFXBWDRW-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.88
Rot. Bonds3

About N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide

N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide (PubChem CID 74801838) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide
PubChem CID74801838
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC NameN-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide
SMILESC=C1C(=O)N=C(n2nc(C3CC3)cc2NC(=O)c2cc(=O)c3ccccc3o2)N=C1C
InChIInChI=1S/C22H17N5O4/c1-11-12(2)23-22(25-20(11)29)27-19(9-15(26-27)13-7-8-13)24-21(30)18-10-16(28)14-5-3-4-6-17(14)31-18/h3-6,9-10,13H,1,7-8H2,2H3,(H,24,30)
InChIKeyNQVDDCNFXBWDRW-UHFFFAOYSA-N
XLogP2.88
TPSA118.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 74801827
N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide
CID 74801780
N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
CID 78715153
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 135892262
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide
CID 136606228
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 18570217
N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 74801569
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 136604432
4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
CID 122298602

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide (CID 74801838) is N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide is C=C1C(=O)N=C(n2nc(C3CC3)cc2NC(=O)c2cc(=O)c3ccccc3o2)N=C1C.
What is the InChIKey of N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide?
The InChIKey is NQVDDCNFXBWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-11-12(2)23-22(25-20(11)29)27-19(9-15(26-27)13-7-8-13)24-21(30)18-10-16(28)14-5-3-4-6-17(14)31-18/h3-6,9-10,13H,1,7-8H2,2H3,(H,24,30).
What are the key properties of N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide?
N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 74801838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).