N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C21H27N7 — CID 141350644

IUPACN-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2ccnc3nc(CNC4CCCc5cccnc54)[nH]c23)CC1
InChIInChI=1S/C21H27N7/c1-27-10-12-28(13-11-27)17-7-9-23-21-20(17)25-18(26-21)14-24-16-6-2-4-15-5-3-8-22-19(15)16/h3,5,7-9,16,24H,2,4,6,10-14H2,1H3,(H,23,25,26)
InChIKeyYATXJBCYZQAKRI-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.27
Rot. Bonds4

About N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 141350644) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID141350644
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC NameN-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2ccnc3nc(CNC4CCCc5cccnc54)[nH]c23)CC1
InChIInChI=1S/C21H27N7/c1-27-10-12-28(13-11-27)17-7-9-23-21-20(17)25-18(26-21)14-24-16-6-2-4-15-5-3-8-22-19(15)16/h3,5,7-9,16,24H,2,4,6,10-14H2,1H3,(H,23,25,26)
InChIKeyYATXJBCYZQAKRI-UHFFFAOYSA-N
XLogP2.27
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 141350644) is N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(c2ccnc3nc(CNC4CCCc5cccnc54)[nH]c23)CC1.
What is the InChIKey of N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is YATXJBCYZQAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-27-10-12-28(13-11-27)17-7-9-23-21-20(17)25-18(26-21)14-24-16-6-2-4-15-5-3-8-22-19(15)16/h3,5,7-9,16,24H,2,4,6,10-14H2,1H3,(H,23,25,26).
What are the key properties of N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 377.50 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 141350644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).