5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid

C26H19FN4O5 — CID 66653607

IUPAC5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid
SMILESCCCn1c(=O)[nH]c2ccc(C(=O)c3nc(-c4ccc(F)c(C(=O)O)c4)c4ccccn34)cc2c1=O
InChIInChI=1S/C26H19FN4O5/c1-2-10-31-24(33)17-13-15(7-9-19(17)28-26(31)36)22(32)23-29-21(20-5-3-4-11-30(20)23)14-6-8-18(27)16(12-14)25(34)35/h3-9,11-13H,2,10H2,1H3,(H,28,36)(H,34,35)
InChIKeyTXAMRAKSUAJOPT-UHFFFAOYSA-N
MW486.46 g/mol
LogP3.48
Rot. Bonds6

About 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid

5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid (PubChem CID 66653607) has the molecular formula C26H19FN4O5 and a molecular weight of 486.46 g/mol. Its IUPAC name is 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid
PubChem CID66653607
Molecular FormulaC26H19FN4O5
Molecular Weight486.46 g/mol
Exact Mass486.13
IUPAC Name5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid
SMILESCCCn1c(=O)[nH]c2ccc(C(=O)c3nc(-c4ccc(F)c(C(=O)O)c4)c4ccccn34)cc2c1=O
InChIInChI=1S/C26H19FN4O5/c1-2-10-31-24(33)17-13-15(7-9-19(17)28-26(31)36)22(32)23-29-21(20-5-3-4-11-30(20)23)14-6-8-18(27)16(12-14)25(34)35/h3-9,11-13H,2,10H2,1H3,(H,28,36)(H,34,35)
InChIKeyTXAMRAKSUAJOPT-UHFFFAOYSA-N
XLogP3.48
TPSA126.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid?
The IUPAC name of 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid (CID 66653607) is 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid is CCCn1c(=O)[nH]c2ccc(C(=O)c3nc(-c4ccc(F)c(C(=O)O)c4)c4ccccn34)cc2c1=O.
What is the InChIKey of 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid?
The InChIKey is TXAMRAKSUAJOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O5/c1-2-10-31-24(33)17-13-15(7-9-19(17)28-26(31)36)22(32)23-29-21(20-5-3-4-11-30(20)23)14-6-8-18(27)16(12-14)25(34)35/h3-9,11-13H,2,10H2,1H3,(H,28,36)(H,34,35).
What are the key properties of 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid?
5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid has a molecular weight of 486.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]-2-fluorobenzoic acid is sourced from PubChem (CID 66653607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).