5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide

C21H21FN4O4 — CID 177176638

IUPAC5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(OCCCN3CCCC3=O)cc2F)n2cncc2c1
InChIInChI=1S/C21H21FN4O4/c22-17-11-16(29-8-2-7-25-6-1-3-19(25)27)4-5-18(17)30-20-10-14(21(23)28)9-15-12-24-13-26(15)20/h4-5,9-13H,1-3,6-8H2,(H2,23,28)
InChIKeyIHOJTYPQCIEGIG-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.76
Rot. Bonds8

About 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide

5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 177176638) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide
PubChem CID177176638
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(OCCCN3CCCC3=O)cc2F)n2cncc2c1
InChIInChI=1S/C21H21FN4O4/c22-17-11-16(29-8-2-7-25-6-1-3-19(25)27)4-5-18(17)30-20-10-14(21(23)28)9-15-12-24-13-26(15)20/h4-5,9-13H,1-3,6-8H2,(H2,23,28)
InChIKeyIHOJTYPQCIEGIG-UHFFFAOYSA-N
XLogP2.76
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide
CID 177176521
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
3-[3-(2-oxopiperidin-1-yl)propoxy]benzenecarbothioamide
CID 43290924
1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
CID 94696788
1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide
CID 177176324
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403164
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
1-[3-(4-chloro-2-methylphenoxy)propyl]pyrrolidin-2-one
CID 94695701
3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 144948040
1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111835157

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide (CID 177176638) is 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide is NC(=O)c1cc(Oc2ccc(OCCCN3CCCC3=O)cc2F)n2cncc2c1.
What is the InChIKey of 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is IHOJTYPQCIEGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c22-17-11-16(29-8-2-7-25-6-1-3-19(25)27)4-5-18(17)30-20-10-14(21(23)28)9-15-12-24-13-26(15)20/h4-5,9-13H,1-3,6-8H2,(H2,23,28).
What are the key properties of 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide?
5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 177176638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).