2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C27H24N6O — CID 137261742

IUPAC2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C27H24N6O/c1-18-19(2)30-26(31-27(18)34)21-13-14-24(28-15-21)29-16-22-17-33(23-11-7-4-8-12-23)32-25(22)20-9-5-3-6-10-20/h3-15,17H,16H2,1-2H3,(H,28,29)(H,30,31,34)
InChIKeyIYNKKMCRYVLPOG-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.91
Rot. Bonds6

About 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137261742) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137261742
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C27H24N6O/c1-18-19(2)30-26(31-27(18)34)21-13-14-24(28-15-21)29-16-22-17-33(23-11-7-4-8-12-23)32-25(22)20-9-5-3-6-10-20/h3-15,17H,16H2,1-2H3,(H,28,29)(H,30,31,34)
InChIKeyIYNKKMCRYVLPOG-UHFFFAOYSA-N
XLogP4.91
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 31536512
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273786
1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264622
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275509
4,5-dimethyl-2-[6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267994
2-[6-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275219
4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264931
4,5-dimethyl-2-[6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137274914

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137261742) is 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is IYNKKMCRYVLPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-18-19(2)30-26(31-27(18)34)21-13-14-24(28-15-21)29-16-22-17-33(23-11-7-4-8-12-23)32-25(22)20-9-5-3-6-10-20/h3-15,17H,16H2,1-2H3,(H,28,29)(H,30,31,34).
What are the key properties of 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 448.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137261742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).