N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

C25H21N7O — CID 137014579

IUPACN-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2)c1
InChIInChI=1S/C25H21N7O/c1-2-26-11-15-9-18(13-27-12-15)16-3-4-21-20(10-16)23(32-31-21)25-29-22-19(17-6-8-33-14-17)5-7-28-24(22)30-25/h3-10,12-14,26H,2,11H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyHTVQEPRFJIWTDC-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.93
Rot. Bonds6

About N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 137014579) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID137014579
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC NameN-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2)c1
InChIInChI=1S/C25H21N7O/c1-2-26-11-15-9-18(13-27-12-15)16-3-4-21-20(10-16)23(32-31-21)25-29-22-19(17-6-8-33-14-17)5-7-28-24(22)30-25/h3-10,12-14,26H,2,11H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyHTVQEPRFJIWTDC-UHFFFAOYSA-N
XLogP4.93
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134084
N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055270
N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134019
N-[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137014571
2-(dimethylamino)-N-[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137135665
1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137134971
1-phenyl-N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137014595
5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145034575
N-[[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137174377
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137134096
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-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137042516

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 137014579) is N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2)c1.
What is the InChIKey of N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is HTVQEPRFJIWTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-2-26-11-15-9-18(13-27-12-15)16-3-4-21-20(10-16)23(32-31-21)25-29-22-19(17-6-8-33-14-17)5-7-28-24(22)30-25/h3-10,12-14,26H,2,11H2,1H3,(H,31,32)(H,28,29,30).
What are the key properties of N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 435.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 137014579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).