4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline

C27H26FN7 — CID 158275304

IUPAC4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline
SMILES[H]/N=C/c1cc(-c2ncc3c(ncn3CC3CCNCC3)c2-c2ccc([N+]#[C-])c(F)c2)ccc1NC
InChIInChI=1S/C27H26FN7/c1-30-22-5-4-19(11-20(22)13-29)26-25(18-3-6-23(31-2)21(28)12-18)27-24(14-33-26)35(16-34-27)15-17-7-9-32-10-8-17/h3-6,11-14,16-17,29-30,32H,7-10,15H2,1H3/b29-13+
InChIKeyGJNODNHEFXZNGZ-VFLNYLIXSA-N
MW467.55 g/mol
LogP5.49
Rot. Bonds6

About 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline

4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline (PubChem CID 158275304) has the molecular formula C27H26FN7 and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline.

Molecular Properties

Compound Name4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline
PubChem CID158275304
Molecular FormulaC27H26FN7
Molecular Weight467.55 g/mol
Exact Mass467.22
IUPAC Name4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline
SMILES[H]/N=C/c1cc(-c2ncc3c(ncn3CC3CCNCC3)c2-c2ccc([N+]#[C-])c(F)c2)ccc1NC
InChIInChI=1S/C27H26FN7/c1-30-22-5-4-19(11-20(22)13-29)26-25(18-3-6-23(31-2)21(28)12-18)27-24(14-33-26)35(16-34-27)15-17-7-9-32-10-8-17/h3-6,11-14,16-17,29-30,32H,7-10,15H2,1H3/b29-13+
InChIKeyGJNODNHEFXZNGZ-VFLNYLIXSA-N
XLogP5.49
TPSA82.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline 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

4-[7-(4-isocyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline
CID 161266083
4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]-3-methylbenzonitrile
CID 170388346
5-(2-ethylindazol-5-yl)-4-(3-fluoro-4-isocyanophenyl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine
CID 153493478
5-(1-ethylindazol-5-yl)-4-(3-fluoro-4-isocyanophenyl)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine
CID 153493473
2-fluoro-4-[6-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-c]pyridin-7-yl]benzonitrile
CID 166680969
4-(3-fluoro-4-isocyanophenyl)-5-(2-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-b]pyridine
CID 153493445
4-(4-isocyanophenyl)-5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 149416554
2-fluoro-4-[6-(2-methyl-1,3-benzothiazol-5-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-c]pyridin-7-yl]benzonitrile
CID 148924633
4-(2-fluoro-4-isocyanophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine
CID 153493379
4-[6-(2,2-difluoro-4-methyl-3H-1,4-benzoxazin-7-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-c]pyridin-7-yl]-2-fluorobenzonitrile
CID 162458985
6-(3-fluoro-4-isocyanophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-2-(2-pyrrolidin-3-ylethyl)pyrimidin-4-one
CID 153041521
2-[2-(azepan-4-yl)ethyl]-6-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one
CID 148545837

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline?
The IUPAC name of 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline (CID 158275304) is 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline.
What is the SMILES notation for 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline?
The canonical SMILES for 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline is [H]/N=C/c1cc(-c2ncc3c(ncn3CC3CCNCC3)c2-c2ccc([N+]#[C-])c(F)c2)ccc1NC.
What is the InChIKey of 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline?
The InChIKey is GJNODNHEFXZNGZ-VFLNYLIXSA-N. The full InChI is InChI=1S/C27H26FN7/c1-30-22-5-4-19(11-20(22)13-29)26-25(18-3-6-23(31-2)21(28)12-18)27-24(14-33-26)35(16-34-27)15-17-7-9-32-10-8-17/h3-6,11-14,16-17,29-30,32H,7-10,15H2,1H3/b29-13+.
What are the key properties of 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline?
4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline has a molecular weight of 467.55 g/mol, XLogP of 5.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-fluoro-4-isocyanophenyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methanimidoyl-N-methylaniline is sourced from PubChem (CID 158275304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).