5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C22H28N8O — CID 91817879

IUPAC5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC3CCN(c4nc(C)nc5c4CCCC5)CC3)nc2n1
InChIInChI=1S/C22H28N8O/c1-13-12-14(2)30-22(23-13)27-19(28-30)21(31)26-16-8-10-29(11-9-16)20-17-6-4-5-7-18(17)24-15(3)25-20/h12,16H,4-11H2,1-3H3,(H,26,31)
InChIKeyDIJMDSGVTNSVSB-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.12
Rot. Bonds3

About 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91817879) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91817879
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC3CCN(c4nc(C)nc5c4CCCC5)CC3)nc2n1
InChIInChI=1S/C22H28N8O/c1-13-12-14(2)30-22(23-13)27-19(28-30)21(31)26-16-8-10-29(11-9-16)20-17-6-4-5-7-18(17)24-15(3)25-20/h12,16H,4-11H2,1-3H3,(H,26,31)
InChIKeyDIJMDSGVTNSVSB-UHFFFAOYSA-N
XLogP2.12
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-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

1-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-2-one
CID 68378958
4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-2-one
CID 145964098
N-[2-(dimethylamino)ethyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 45898439
(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl)methanone
CID 91632703
5,7-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 42941504
7-Methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 136559635
2-[4-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
CID 132206913
2-amino-1-[(3R)-3-[5,6-dimethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 162724048
N-[(3R)-1-ethylpiperidin-3-yl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1204779
N-[(3S)-1-ethylpiperidin-3-yl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1204780
5,7-dimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25494403
5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25494409

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 91817879) is 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC3CCN(c4nc(C)nc5c4CCCC5)CC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DIJMDSGVTNSVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-13-12-14(2)30-22(23-13)27-19(28-30)21(31)26-16-8-10-29(11-9-16)20-17-6-4-5-7-18(17)24-15(3)25-20/h12,16H,4-11H2,1-3H3,(H,26,31).
What are the key properties of 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91817879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).