N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine

C28H25FN8 — CID 145038797

IUPACN-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cnc3c(c2)C(c2nc4c(-c5ccccc5F)nccc4[nH]2)=NCN3C)c1
InChIInChI=1S/C28H25FN8/c1-3-30-12-17-10-18(14-31-13-17)19-11-21-25(34-16-37(2)28(21)33-15-19)27-35-23-8-9-32-24(26(23)36-27)20-6-4-5-7-22(20)29/h4-11,13-15,30H,3,12,16H2,1-2H3,(H,35,36)
InChIKeyHBOFQDGRJWPTSL-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.58
Rot. Bonds6

About N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 145038797) has the molecular formula C28H25FN8 and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID145038797
Molecular FormulaC28H25FN8
Molecular Weight492.56 g/mol
Exact Mass492.22
IUPAC NameN-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cnc3c(c2)C(c2nc4c(-c5ccccc5F)nccc4[nH]2)=NCN3C)c1
InChIInChI=1S/C28H25FN8/c1-3-30-12-17-10-18(14-31-13-17)19-11-21-25(34-16-37(2)28(21)33-15-19)27-35-23-8-9-32-24(26(23)36-27)20-6-4-5-7-22(20)29/h4-11,13-15,30H,3,12,16H2,1-2H3,(H,35,36)
InChIKeyHBOFQDGRJWPTSL-UHFFFAOYSA-N
XLogP4.58
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine
CID 145038705
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137019408
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137019421
1-[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137038490
N-[[5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136942512
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 136944834
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 136935593
4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935579
N-[[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136935675
N-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136936605
1-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol
CID 137313879
N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136946308

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine (CID 145038797) is N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2cnc3c(c2)C(c2nc4c(-c5ccccc5F)nccc4[nH]2)=NCN3C)c1.
What is the InChIKey of N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is HBOFQDGRJWPTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN8/c1-3-30-12-17-10-18(14-31-13-17)19-11-21-25(34-16-37(2)28(21)33-15-19)27-35-23-8-9-32-24(26(23)36-27)20-6-4-5-7-22(20)29/h4-11,13-15,30H,3,12,16H2,1-2H3,(H,35,36).
What are the key properties of N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 492.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 145038797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).