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

C26H27FN8 — CID 136935675

IUPACN-[[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H27FN8/c1-2-28-13-16-10-18(15-29-14-16)17-11-19-22(20(27)12-17)33-34-23(19)25-31-21-6-7-30-26(24(21)32-25)35-8-4-3-5-9-35/h6-7,10-12,14-15,28H,2-5,8-9,13H2,1H3,(H,31,32)(H,33,34)
InChIKeyUZCIWVMIBVMCDO-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.80
Rot. Bonds6

About 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

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 (PubChem CID 136935675) has the molecular formula C26H27FN8 and a molecular weight of 470.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID136935675
Molecular FormulaC26H27FN8
Molecular Weight470.56 g/mol
Exact Mass470.23
IUPAC NameN-[[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H27FN8/c1-2-28-13-16-10-18(15-29-14-16)17-11-19-22(20(27)12-17)33-34-23(19)25-31-21-6-7-30-26(24(21)32-25)35-8-4-3-5-9-35/h6-7,10-12,14-15,28H,2-5,8-9,13H2,1H3,(H,31,32)(H,33,34)
InChIKeyUZCIWVMIBVMCDO-UHFFFAOYSA-N
XLogP4.80
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136935685
N-[[5-[7-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134327
4-(4-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935553
N-[5-[7-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136935744
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-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134536
1-phenyl-N-[[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137312248
1-cyclopentyl-N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137019554
N-[[5-[3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 145036373
N-[[5-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137034041
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
N-[5-[7-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136935643

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNCc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is UZCIWVMIBVMCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8/c1-2-28-13-16-10-18(15-29-14-16)17-11-19-22(20(27)12-17)33-34-23(19)25-31-21-6-7-30-26(24(21)32-25)35-8-4-3-5-9-35/h6-7,10-12,14-15,28H,2-5,8-9,13H2,1H3,(H,31,32)(H,33,34).
What are the key properties of 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?
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 has a molecular weight of 470.56 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136935675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).