(3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide

C18H17FN4O — CID 130248913

IUPAC(3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn2cc(-c3ccccc3)nc2c1)N1CC[C@H](F)C1
InChIInChI=1S/C18H17FN4O/c19-14-6-8-23(11-14)18(24)20-15-7-9-22-12-16(21-17(22)10-15)13-4-2-1-3-5-13/h1-5,7,9-10,12,14H,6,8,11H2,(H,20,24)/t14-/m0/s1
InChIKeySMBJHKIUXLZCPT-AWEZNQCLSA-N
MW324.36 g/mol
LogP3.58
Rot. Bonds2

About (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide

(3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide (PubChem CID 130248913) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide
PubChem CID130248913
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name(3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn2cc(-c3ccccc3)nc2c1)N1CC[C@H](F)C1
InChIInChI=1S/C18H17FN4O/c19-14-6-8-23(11-14)18(24)20-15-7-9-22-12-16(21-17(22)10-15)13-4-2-1-3-5-13/h1-5,7,9-10,12,14H,6,8,11H2,(H,20,24)/t14-/m0/s1
InChIKeySMBJHKIUXLZCPT-AWEZNQCLSA-N
XLogP3.58
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide (CID 130248913) is (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccn2cc(-c3ccccc3)nc2c1)N1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide?
The InChIKey is SMBJHKIUXLZCPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-6-8-23(11-14)18(24)20-15-7-9-22-12-16(21-17(22)10-15)13-4-2-1-3-5-13/h1-5,7,9-10,12,14H,6,8,11H2,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide?
(3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 130248913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).