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

C17H16ClFN6O — CID 178023761

IUPACN-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESC[C@@H](C/C=C/c1cnc(N)c(Cl)c1)NC(=O)c1nc2ncc(F)cc2[nH]1
InChIInChI=1S/C17H16ClFN6O/c1-9(3-2-4-10-5-12(18)14(20)21-7-10)23-17(26)16-24-13-6-11(19)8-22-15(13)25-16/h2,4-9H,3H2,1H3,(H2,20,21)(H,23,26)(H,22,24,25)/b4-2+/t9-/m0/s1
InChIKeyBTMSFCFSWALUMA-LXOKAJLYSA-N
MW374.81 g/mol
LogP2.95
Rot. Bonds5

About 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

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 (PubChem CID 178023761) has the molecular formula C17H16ClFN6O and a molecular weight of 374.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID178023761
Molecular FormulaC17H16ClFN6O
Molecular Weight374.81 g/mol
Exact Mass374.11
IUPAC NameN-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESC[C@@H](C/C=C/c1cnc(N)c(Cl)c1)NC(=O)c1nc2ncc(F)cc2[nH]1
InChIInChI=1S/C17H16ClFN6O/c1-9(3-2-4-10-5-12(18)14(20)21-7-10)23-17(26)16-24-13-6-11(19)8-22-15(13)25-16/h2,4-9H,3H2,1H3,(H2,20,21)(H,23,26)(H,22,24,25)/b4-2+/t9-/m0/s1
InChIKeyBTMSFCFSWALUMA-LXOKAJLYSA-N
XLogP2.95
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 52.95
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]-4-chloro-1H-benzimidazole-2-carboxamide
CID 178023812
N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023692
N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024535
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-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023743
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-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178024274
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
tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
CID 178023798
4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide
CID 162478968
tert-butyl N-[(E,2S)-5-[6-amino-5-(dimethylcarbamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
CID 178023539
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](C/C=C/c1cnc(N)c(Cl)c1)NC(=O)c1nc2ncc(F)cc2[nH]1.
What is the InChIKey of 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?
The InChIKey is BTMSFCFSWALUMA-LXOKAJLYSA-N. The full InChI is InChI=1S/C17H16ClFN6O/c1-9(3-2-4-10-5-12(18)14(20)21-7-10)23-17(26)16-24-13-6-11(19)8-22-15(13)25-16/h2,4-9H,3H2,1H3,(H2,20,21)(H,23,26)(H,22,24,25)/b4-2+/t9-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 374.81 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178023761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).