7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H19ClN6O — CID 5084302

IUPAC7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C24H19ClN6O/c1-15-20(23(32)28-19-8-5-13-26-14-19)21(16-9-11-18(25)12-10-16)31-24(27-15)29-22(30-31)17-6-3-2-4-7-17/h2-14,21H,1H3,(H,28,32)(H,27,29,30)
InChIKeyCMZAKTONFMCKBX-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.92
Rot. Bonds4

About 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 5084302) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID5084302
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC Name7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C24H19ClN6O/c1-15-20(23(32)28-19-8-5-13-26-14-19)21(16-9-11-18(25)12-10-16)31-24(27-15)29-22(30-31)17-6-3-2-4-7-17/h2-14,21H,1H3,(H,28,32)(H,27,29,30)
InChIKeyCMZAKTONFMCKBX-UHFFFAOYSA-N
XLogP4.92
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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[7-(3-Chlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450037
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
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[7-(2,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450098
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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 5084302) is 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1.
What is the InChIKey of 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CMZAKTONFMCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-15-20(23(32)28-19-8-5-13-26-14-19)21(16-9-11-18(25)12-10-16)31-24(27-15)29-22(30-31)17-6-3-2-4-7-17/h2-14,21H,1H3,(H,28,32)(H,27,29,30).
What are the key properties of 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 442.91 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5084302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).