N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide

C17H18F2N6O — CID 178024535

IUPACN-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESC[C@@H](CCCc1cnc(N)c(F)c1)NC(=O)c1nc2ncc(F)cc2[nH]1
InChIInChI=1S/C17H18F2N6O/c1-9(3-2-4-10-5-12(19)14(20)21-7-10)23-17(26)16-24-13-6-11(18)8-22-15(13)25-16/h5-9H,2-4H2,1H3,(H2,20,21)(H,23,26)(H,22,24,25)/t9-/m0/s1
InChIKeyGAUKYXGSXQORHE-VIFPVBQESA-N
MW360.37 g/mol
LogP2.35
Rot. Bonds6

About N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide

N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 178024535) has the molecular formula C17H18F2N6O and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID178024535
Molecular FormulaC17H18F2N6O
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC NameN-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESC[C@@H](CCCc1cnc(N)c(F)c1)NC(=O)c1nc2ncc(F)cc2[nH]1
InChIInChI=1S/C17H18F2N6O/c1-9(3-2-4-10-5-12(19)14(20)21-7-10)23-17(26)16-24-13-6-11(18)8-22-15(13)25-16/h5-9H,2-4H2,1H3,(H2,20,21)(H,23,26)(H,22,24,25)/t9-/m0/s1
InChIKeyGAUKYXGSXQORHE-VIFPVBQESA-N
XLogP2.35
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023761
N-[(E,2S)-5-(6-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023979
N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024052
N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023692
N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023775
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-4-chloro-1H-benzimidazole-2-carboxamide
CID 178023812
2-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)ethanethiol
CID 82337318
N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024438
N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023743
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine
CID 59533509

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide (CID 178024535) is N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide is C[C@@H](CCCc1cnc(N)c(F)c1)NC(=O)c1nc2ncc(F)cc2[nH]1.
What is the InChIKey of N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is GAUKYXGSXQORHE-VIFPVBQESA-N. The full InChI is InChI=1S/C17H18F2N6O/c1-9(3-2-4-10-5-12(19)14(20)21-7-10)23-17(26)16-24-13-6-11(18)8-22-15(13)25-16/h5-9H,2-4H2,1H3,(H2,20,21)(H,23,26)(H,22,24,25)/t9-/m0/s1.
What are the key properties of N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide?
N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 178024535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).