N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

C20H20N6O — CID 139360648

IUPACN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc3cccn3cn2)c1
InChIInChI=1S/C20H20N6O/c1-14(9-19-24-22-13-25(19)2)15-5-3-6-16(10-15)23-20(27)18-11-17-7-4-8-26(17)12-21-18/h3-8,10-14H,9H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyZDBFTVOIUDOUMA-CQSZACIVSA-N
MW360.42 g/mol
LogP3.06
Rot. Bonds5

About N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 139360648) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
PubChem CID139360648
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc3cccn3cn2)c1
InChIInChI=1S/C20H20N6O/c1-14(9-19-24-22-13-25(19)2)15-5-3-6-16(10-15)23-20(27)18-11-17-7-4-8-26(17)12-21-18/h3-8,10-14H,9H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyZDBFTVOIUDOUMA-CQSZACIVSA-N
XLogP3.06
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acalabrutinib
CID 71226662
Selonsertib
CID 71245288
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
Bezuclastinib
CID 75593308
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 23644671
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 57340689
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 71288719
US11142525, Example 46
CID 146572044

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 139360648) is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc3cccn3cn2)c1.
What is the InChIKey of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The InChIKey is ZDBFTVOIUDOUMA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14(9-19-24-22-13-25(19)2)15-5-3-6-16(10-15)23-20(27)18-11-17-7-4-8-26(17)12-21-18/h3-8,10-14H,9H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 139360648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).