N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H16F2N4O2 — CID 90124762

IUPACN-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(N[C@@H](c1ccc(OCF)cc1)c1ncccc1F)c1ccc2nccn2c1
InChIInChI=1S/C21H16F2N4O2/c22-13-29-16-6-3-14(4-7-16)19(20-17(23)2-1-9-25-20)26-21(28)15-5-8-18-24-10-11-27(18)12-15/h1-12,19H,13H2,(H,26,28)/t19-/m0/s1
InChIKeyNBWXOKVJBCOAJI-IBGZPJMESA-N
MW394.38 g/mol
LogP3.69
Rot. Bonds6

About N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90124762) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90124762
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC NameN-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(N[C@@H](c1ccc(OCF)cc1)c1ncccc1F)c1ccc2nccn2c1
InChIInChI=1S/C21H16F2N4O2/c22-13-29-16-6-3-14(4-7-16)19(20-17(23)2-1-9-25-20)26-21(28)15-5-8-18-24-10-11-27(18)12-15/h1-12,19H,13H2,(H,26,28)/t19-/m0/s1
InChIKeyNBWXOKVJBCOAJI-IBGZPJMESA-N
XLogP3.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90124762) is N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(N[C@@H](c1ccc(OCF)cc1)c1ncccc1F)c1ccc2nccn2c1.
What is the InChIKey of N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NBWXOKVJBCOAJI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-13-29-16-6-3-14(4-7-16)19(20-17(23)2-1-9-25-20)26-21(28)15-5-8-18-24-10-11-27(18)12-15/h1-12,19H,13H2,(H,26,28)/t19-/m0/s1.
What are the key properties of N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90124762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).