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

C22H19FN6O2 — CID 118240679

IUPAC3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESNC(=O)c1cccn2c(-c3nc4c(c(NCc5cccc(F)c5)n3)CCOC4)ncc12
InChIInChI=1S/C22H19FN6O2/c23-14-4-1-3-13(9-14)10-25-20-15-6-8-31-12-17(15)27-21(28-20)22-26-11-18-16(19(24)30)5-2-7-29(18)22/h1-5,7,9,11H,6,8,10,12H2,(H2,24,30)(H,25,27,28)
InChIKeyTUOFGRUIGTZZRR-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.71
Rot. Bonds5

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

3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide (PubChem CID 118240679) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
PubChem CID118240679
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESNC(=O)c1cccn2c(-c3nc4c(c(NCc5cccc(F)c5)n3)CCOC4)ncc12
InChIInChI=1S/C22H19FN6O2/c23-14-4-1-3-13(9-14)10-25-20-15-6-8-31-12-17(15)27-21(28-20)22-26-11-18-16(19(24)30)5-2-7-29(18)22/h1-5,7,9,11H,6,8,10,12H2,(H2,24,30)(H,25,27,28)
InChIKeyTUOFGRUIGTZZRR-UHFFFAOYSA-N
XLogP2.71
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide with MolForge

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Related Compounds

3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240345
[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-[[[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)-6,7-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)-5,6-dimethylpyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205788
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-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 122685230
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-[4-[(3-fluorophenyl)methylamino]-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240806
1-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxylic acid
CID 118239963
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 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) is 3-[4-[(3-fluorophenyl)methylamino]-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-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide is NC(=O)c1cccn2c(-c3nc4c(c(NCc5cccc(F)c5)n3)CCOC4)ncc12.
What is the InChIKey of 3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
The InChIKey is TUOFGRUIGTZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-14-4-1-3-13(9-14)10-25-20-15-6-8-31-12-17(15)27-21(28-20)22-26-11-18-16(19(24)30)5-2-7-29(18)22/h1-5,7,9,11H,6,8,10,12H2,(H2,24,30)(H,25,27,28).
What are the key properties of 3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide?
3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 118240679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).