6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine

C18H18FN7 — CID 176928229

IUPAC6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine
SMILESN/C(=C\c1ncccc1F)[C@H]1c2nc[nH]c2CCN1c1cccc(N)n1
InChIInChI=1S/C18H18FN7/c19-11-3-2-7-22-14(11)9-12(20)18-17-13(23-10-24-17)6-8-26(18)16-5-1-4-15(21)25-16/h1-5,7,9-10,18H,6,8,20H2,(H2,21,25)(H,23,24)/b12-9-/t18-/m0/s1
InChIKeyBUNJNAKRZFDFTB-DVESRUBUSA-N
MW351.39 g/mol
LogP2.02
Rot. Bonds3

About 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine

6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine (PubChem CID 176928229) has the molecular formula C18H18FN7 and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine
PubChem CID176928229
Molecular FormulaC18H18FN7
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine
SMILESN/C(=C\c1ncccc1F)[C@H]1c2nc[nH]c2CCN1c1cccc(N)n1
InChIInChI=1S/C18H18FN7/c19-11-3-2-7-22-14(11)9-12(20)18-17-13(23-10-24-17)6-8-26(18)16-5-1-4-15(21)25-16/h1-5,7,9-10,18H,6,8,20H2,(H2,21,25)(H,23,24)/b12-9-/t18-/m0/s1
InChIKeyBUNJNAKRZFDFTB-DVESRUBUSA-N
XLogP2.02
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dipraglurant
CID 44557636
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-(2'-Pyridyl)benzimidazole
CID 70821
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
VK-19911
CID 9797240
Imidazo(4,5-b)pyridine
CID 67504
2-(1H-imidazol-2-yl)pyridine
CID 589313
Ruserontinib
CID 54760385
N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126537450
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
7H-Adenine, N-(p-fluorophenyl)-
CID 51998

Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine?
The IUPAC name of 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine (CID 176928229) is 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine.
What is the SMILES notation for 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine?
The canonical SMILES for 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine is N/C(=C\c1ncccc1F)[C@H]1c2nc[nH]c2CCN1c1cccc(N)n1.
What is the InChIKey of 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine?
The InChIKey is BUNJNAKRZFDFTB-DVESRUBUSA-N. The full InChI is InChI=1S/C18H18FN7/c19-11-3-2-7-22-14(11)9-12(20)18-17-13(23-10-24-17)6-8-26(18)16-5-1-4-15(21)25-16/h1-5,7,9-10,18H,6,8,20H2,(H2,21,25)(H,23,24)/b12-9-/t18-/m0/s1.
What are the key properties of 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine?
6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine has a molecular weight of 351.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 176928229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).