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

C22H20N6O2 — CID 118240345

IUPAC3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESNC(=O)c1cccn2c(-c3nc4c(c(NCc5ccccc5)n3)CCOC4)ncc12
InChIInChI=1S/C22H20N6O2/c23-19(29)16-7-4-9-28-18(16)12-25-22(28)21-26-17-13-30-10-8-15(17)20(27-21)24-11-14-5-2-1-3-6-14/h1-7,9,12H,8,10-11,13H2,(H2,23,29)(H,24,26,27)
InChIKeyTXNTUSWWNFPXSB-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.58
Rot. Bonds5

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

3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide (PubChem CID 118240345) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
PubChem CID118240345
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESNC(=O)c1cccn2c(-c3nc4c(c(NCc5ccccc5)n3)CCOC4)ncc12
InChIInChI=1S/C22H20N6O2/c23-19(29)16-7-4-9-28-18(16)12-25-22(28)21-26-17-13-30-10-8-15(17)20(27-21)24-11-14-5-2-1-3-6-14/h1-7,9,12H,8,10-11,13H2,(H2,23,29)(H,24,26,27)
InChIKeyTXNTUSWWNFPXSB-UHFFFAOYSA-N
XLogP2.58
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(benzylamino)-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 122685183
[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-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118239914
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)-8-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118239595
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-[[[2-(8-carbamoyl-2-methylindolizin-3-yl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145206208
3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]-1,2-benzoxazole-7-carboxamide
CID 122685568
1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240054
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
[3-[[[2-(8-carbamoylimidazo[1,5-a]pyridin-3-yl)-5,6-dimethylpyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205788

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide (CID 118240345) is 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide is NC(=O)c1cccn2c(-c3nc4c(c(NCc5ccccc5)n3)CCOC4)ncc12.
What is the InChIKey of 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The InChIKey is TXNTUSWWNFPXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c23-19(29)16-7-4-9-28-18(16)12-25-22(28)21-26-17-13-30-10-8-15(17)20(27-21)24-11-14-5-2-1-3-6-14/h1-7,9,12H,8,10-11,13H2,(H2,23,29)(H,24,26,27).
What are the key properties of 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 118240345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).