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

C22H17ClN6OS — CID 992504

IUPAC(7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(-c3ccccc3Cl)nc2N1
InChIInChI=1S/C22H17ClN6OS/c1-13-18(21(30)26-14-6-4-10-24-12-14)19(17-9-5-11-31-17)29-22(25-13)27-20(28-29)15-7-2-3-8-16(15)23/h2-12,19H,1H3,(H,26,30)(H,25,27,28)/t19-/m0/s1
InChIKeyQRGGYQCYPIBRDM-IBGZPJMESA-N
MW448.94 g/mol
LogP4.98
Rot. Bonds4

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

(7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 992504) has the molecular formula C22H17ClN6OS and a molecular weight of 448.94 g/mol. Its IUPAC name is (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID992504
Molecular FormulaC22H17ClN6OS
Molecular Weight448.94 g/mol
Exact Mass448.09
IUPAC Name(7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(-c3ccccc3Cl)nc2N1
InChIInChI=1S/C22H17ClN6OS/c1-13-18(21(30)26-14-6-4-10-24-12-14)19(17-9-5-11-31-17)29-22(25-13)27-20(28-29)15-7-2-3-8-16(15)23/h2-12,19H,1H3,(H,26,30)(H,25,27,28)/t19-/m0/s1
InChIKeyQRGGYQCYPIBRDM-IBGZPJMESA-N
XLogP4.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890329
2-(4-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135847506
2-(4-tert-butylphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135823324
2-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135551237
(7R)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890375
2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135796025
(7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135590876
(7R)-7-(2-chlorophenyl)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136883033
(7S)-7-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992484
(7R)-2-(2-methoxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136755077
2-(4-methoxyphenyl)-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135553706
5-methyl-7-phenyl-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135548896

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 992504) is (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(-c3ccccc3Cl)nc2N1.
What is the InChIKey of (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QRGGYQCYPIBRDM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H17ClN6OS/c1-13-18(21(30)26-14-6-4-10-24-12-14)19(17-9-5-11-31-17)29-22(25-13)27-20(28-29)15-7-2-3-8-16(15)23/h2-12,19H,1H3,(H,26,30)(H,25,27,28)/t19-/m0/s1.
What are the key properties of (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 448.94 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 992504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).