3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one

C24H24N6O4 — CID 122337435

IUPAC3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCN(c4cc(-n5nc(C)cc5C)ncn4)CC3)c(=O)oc12
InChIInChI=1S/C24H24N6O4/c1-15-11-16(2)30(27-15)21-13-20(25-14-26-21)28-7-9-29(10-8-28)23(31)18-12-17-5-4-6-19(33-3)22(17)34-24(18)32/h4-6,11-14H,7-10H2,1-3H3
InChIKeyUFSDUDNRZQNSCF-UHFFFAOYSA-N
MW460.49 g/mol
LogP2.36
Rot. Bonds4

About 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one

3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one (PubChem CID 122337435) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one.

Molecular Properties

Compound Name3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one
PubChem CID122337435
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCN(c4cc(-n5nc(C)cc5C)ncn4)CC3)c(=O)oc12
InChIInChI=1S/C24H24N6O4/c1-15-11-16(2)30(27-15)21-13-20(25-14-26-21)28-7-9-29(10-8-28)23(31)18-12-17-5-4-6-19(33-3)22(17)34-24(18)32/h4-6,11-14H,7-10H2,1-3H3
InChIKeyUFSDUDNRZQNSCF-UHFFFAOYSA-N
XLogP2.36
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one with MolForge

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Related Compounds

8-methoxy-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one
CID 122341533
(5-chloro-2-methoxyphenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56700328
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 1045007
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
(2-bromophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121072260
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 122337527
3-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 122346085
3-(4-benzhydrylpiperazine-1-carbonyl)-8-methoxychromen-2-one
CID 1167270
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121072238
8-methoxy-3-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]chromen-2-one
CID 32903287

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one?
The IUPAC name of 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one (CID 122337435) is 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one.
What is the SMILES notation for 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one?
The canonical SMILES for 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one is COc1cccc2cc(C(=O)N3CCN(c4cc(-n5nc(C)cc5C)ncn4)CC3)c(=O)oc12.
What is the InChIKey of 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one?
The InChIKey is UFSDUDNRZQNSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-15-11-16(2)30(27-15)21-13-20(25-14-26-21)28-7-9-29(10-8-28)23(31)18-12-17-5-4-6-19(33-3)22(17)34-24(18)32/h4-6,11-14H,7-10H2,1-3H3.
What are the key properties of 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one?
3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one has a molecular weight of 460.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one is sourced from PubChem (CID 122337435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).