N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide

C25H23N5O3 — CID 135735901

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)[nH]c1=O
InChIInChI=1S/C25H23N5O3/c1-4-16-15(3)26-25(28-23(16)31)30-21(13-14(2)29-30)27-24(32)22-17-9-5-7-11-19(17)33-20-12-8-6-10-18(20)22/h5-13,22H,4H2,1-3H3,(H,27,32)(H,26,28,31)
InChIKeyYCCQATCZPHHZJA-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.01
Rot. Bonds4

About N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide (PubChem CID 135735901) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide
PubChem CID135735901
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)[nH]c1=O
InChIInChI=1S/C25H23N5O3/c1-4-16-15(3)26-25(28-23(16)31)30-21(13-14(2)29-30)27-24(32)22-17-9-5-7-11-19(17)33-20-12-8-6-10-18(20)22/h5-13,22H,4H2,1-3H3,(H,27,32)(H,26,28,31)
InChIKeyYCCQATCZPHHZJA-UHFFFAOYSA-N
XLogP4.01
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
4-{2-[(4-fluorobenzyl)oxy]phenyl}-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653065
4-{2-[(2-fluorobenzyl)oxy]phenyl}-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653291
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137297367
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640
3-ethoxy-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 168271652
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide
CID 135753062
5-oxo-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983739
6-(4-methoxyphenyl)-5-[(6-methoxypyridazin-3-yl)amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137297206
7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137297212
5-[(6-aminopyridazin-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137297508

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide (CID 135735901) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide?
The InChIKey is YCCQATCZPHHZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-4-16-15(3)26-25(28-23(16)31)30-21(13-14(2)29-30)27-24(32)22-17-9-5-7-11-19(17)33-20-12-8-6-10-18(20)22/h5-13,22H,4H2,1-3H3,(H,27,32)(H,26,28,31).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 135735901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).