3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide

C23H23N7O — CID 118239595

IUPAC3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESCC1CNCc2c(NCc3ccccc3)nc(-c3ncc4c(C(N)=O)cccn34)nc21
InChIInChI=1S/C23H23N7O/c1-14-10-25-12-17-19(14)28-22(29-21(17)26-11-15-6-3-2-4-7-15)23-27-13-18-16(20(24)31)8-5-9-30(18)23/h2-9,13-14,25H,10-12H2,1H3,(H2,24,31)(H,26,28,29)
InChIKeyQJUTVFLPFNRDOK-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.71
Rot. Bonds5

About 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide

3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide (PubChem CID 118239595) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
PubChem CID118239595
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESCC1CNCc2c(NCc3ccccc3)nc(-c3ncc4c(C(N)=O)cccn34)nc21
InChIInChI=1S/C23H23N7O/c1-14-10-25-12-17-19(14)28-22(29-21(17)26-11-15-6-3-2-4-7-15)23-27-13-18-16(20(24)31)8-5-9-30(18)23/h2-9,13-14,25H,10-12H2,1H3,(H2,24,31)(H,26,28,29)
InChIKeyQJUTVFLPFNRDOK-UHFFFAOYSA-N
XLogP2.71
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240345
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
[3-[[[2-(8-carbamoylimidazo[1,5-a]pyridin-3-yl)-5,6-dimethylpyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205788
[3-[[[2-(8-carbamoylimidazo[1,5-a]pyridin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145206080
3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240679
3-[4-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 122685230
3-[9-methyl-4-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240358
1-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 122685590
[4-(benzylamino)-2-(8-carbamoyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidin-5-yl]boronic acid
CID 145205215
3-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7,8,9-tetrahydropyrimido[5,4-c]azepin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118239717

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide (CID 118239595) is 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide is CC1CNCc2c(NCc3ccccc3)nc(-c3ncc4c(C(N)=O)cccn34)nc21.
What is the InChIKey of 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The InChIKey is QJUTVFLPFNRDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-14-10-25-12-17-19(14)28-22(29-21(17)26-11-15-6-3-2-4-7-15)23-27-13-18-16(20(24)31)8-5-9-30(18)23/h2-9,13-14,25H,10-12H2,1H3,(H2,24,31)(H,26,28,29).
What are the key properties of 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 118239595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).