5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C22H27N7O2 — CID 126935642

IUPAC5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC3CCC(n4nc5c(cc4=O)CCCC5)CC3)nc2n1
InChIInChI=1S/C22H27N7O2/c1-13-11-14(2)28-22(23-13)25-20(27-28)21(31)24-16-7-9-17(10-8-16)29-19(30)12-15-5-3-4-6-18(15)26-29/h11-12,16-17H,3-10H2,1-2H3,(H,24,31)
InChIKeyHDFJKFPNACTLGW-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.09
Rot. Bonds3

About 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 126935642) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID126935642
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC3CCC(n4nc5c(cc4=O)CCCC5)CC3)nc2n1
InChIInChI=1S/C22H27N7O2/c1-13-11-14(2)28-22(23-13)25-20(27-28)21(31)24-16-7-9-17(10-8-16)29-19(30)12-15-5-3-4-6-18(15)26-29/h11-12,16-17H,3-10H2,1-2H3,(H,24,31)
InChIKeyHDFJKFPNACTLGW-UHFFFAOYSA-N
XLogP2.09
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 126934279
2-[[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862725
1-methyl-2-oxo-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 126935258
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide
CID 126935332
1-(oxan-4-yl)-3-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]urea
CID 126935296
N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide
CID 126935615
2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914799
2-(oxolan-2-yl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]acetamide
CID 126935618
2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126935921
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
N-[2-(cycloheptylamino)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119620947
3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide
CID 126935330

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 126935642) is 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC3CCC(n4nc5c(cc4=O)CCCC5)CC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HDFJKFPNACTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-13-11-14(2)28-22(23-13)25-20(27-28)21(31)24-16-7-9-17(10-8-16)29-19(30)12-15-5-3-4-6-18(15)26-29/h11-12,16-17H,3-10H2,1-2H3,(H,24,31).
What are the key properties of 5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 2.09, 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-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 126935642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).