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

C23H23N7O — CID 118239914

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

3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide (PubChem CID 118239914) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
• PubChem CID: 118239914
• Molecular Formula: C23H23N7O
• Molecular Weight: 413.49 g/mol
• Exact Mass: 413.20
• IUPAC Name: 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
• SMILES: CN1CCCc2nc(-c3ncc4c(C(N)=O)cccn34)nc(NCc3ccccc3)c21
• InChI: InChI=1S/C23H23N7O/c1-29-11-6-10-17-19(29)21(25-13-15-7-3-2-4-8-15)28-22(27-17)23-26-14-18-16(20(24)31)9-5-12-30(18)23/h2-5,7-9,12,14H,6,10-11,13H2,1H3,(H2,24,31)(H,25,27,28)
• InChIKey: XEEGDXMBKCKMML-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 101.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.49
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?

The IUPAC name of 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) is 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide.

What is the SMILES notation for 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?

The canonical SMILES for 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide is CN1CCCc2nc(-c3ncc4c(C(N)=O)cccn34)nc(NCc3ccccc3)c21.

What is the InChIKey of 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?

The InChIKey is XEEGDXMBKCKMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-29-11-6-10-17-19(29)21(25-13-15-7-3-2-4-8-15)28-22(27-17)23-26-14-18-16(20(24)31)9-5-12-30(18)23/h2-5,7-9,12,14H,6,10-11,13H2,1H3,(H2,24,31)(H,25,27,28).

What are the key properties of 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?

3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 118239914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).