3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide

C25H26N6O — CID 118240097

IUPAC3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3ccccc3)n1)C(C)CCC2
InChIInChI=1S/C25H26N6O/c1-15-8-6-12-19-20(15)23(27-14-17-9-4-3-5-10-17)30-24(29-19)21-16(2)28-25-18(22(26)32)11-7-13-31(21)25/h3-5,7,9-11,13,15H,6,8,12,14H2,1-2H3,(H2,26,32)(H,27,29,30)
InChIKeyAQGAXPCRLJXCHA-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.25
Rot. Bonds5

About 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide

3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 118240097) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID118240097
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3ccccc3)n1)C(C)CCC2
InChIInChI=1S/C25H26N6O/c1-15-8-6-12-19-20(15)23(27-14-17-9-4-3-5-10-17)30-24(29-19)21-16(2)28-25-18(22(26)32)11-7-13-31(21)25/h3-5,7,9-11,13,15H,6,8,12,14H2,1-2H3,(H2,26,32)(H,27,29,30)
InChIKeyAQGAXPCRLJXCHA-UHFFFAOYSA-N
XLogP4.25
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240215
[3-[[[2-(8-carbamoyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 154501633
3-[4-[(3-fluorophenyl)methylamino]-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240806
3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240659
1-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindole-4-carboxamide
CID 118240009
2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 118240542
[3-[[[5-carbamoyl-2-(8-carbamoyl-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205774
3-[4-(benzylamino)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindolizine-8-carboxamide
CID 118240434
3-[4-(benzylamino)-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 122685183
3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118239914
2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 118239843
2-methyl-3-[5-methyl-4-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide;3-[5-methyl-4-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240033

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide (CID 118240097) is 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide is Cc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3ccccc3)n1)C(C)CCC2.
What is the InChIKey of 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is AQGAXPCRLJXCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-15-8-6-12-19-20(15)23(27-14-17-9-4-3-5-10-17)30-24(29-19)21-16(2)28-25-18(22(26)32)11-7-13-31(21)25/h3-5,7,9-11,13,15H,6,8,12,14H2,1-2H3,(H2,26,32)(H,27,29,30).
What are the key properties of 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 118240097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).