N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine

C21H25N5 — CID 70809407

IUPACN-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine
SMILESCN(Cc1ccc2c(c1)CC(c1ccnc3nc[nH]c13)N2)C1CCCC1
InChIInChI=1S/C21H25N5/c1-26(16-4-2-3-5-16)12-14-6-7-18-15(10-14)11-19(25-18)17-8-9-22-21-20(17)23-13-24-21/h6-10,13,16,19,25H,2-5,11-12H2,1H3,(H,22,23,24)
InChIKeyYYIHXNRJLUEVLW-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.04
Rot. Bonds4

About N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine

N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine (PubChem CID 70809407) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine
PubChem CID70809407
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine
SMILESCN(Cc1ccc2c(c1)CC(c1ccnc3nc[nH]c13)N2)C1CCCC1
InChIInChI=1S/C21H25N5/c1-26(16-4-2-3-5-16)12-14-6-7-18-15(10-14)11-19(25-18)17-8-9-22-21-20(17)23-13-24-21/h6-10,13,16,19,25H,2-5,11-12H2,1H3,(H,22,23,24)
InChIKeyYYIHXNRJLUEVLW-UHFFFAOYSA-N
XLogP4.04
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine?
The IUPAC name of N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine (CID 70809407) is N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine is CN(Cc1ccc2c(c1)CC(c1ccnc3nc[nH]c13)N2)C1CCCC1.
What is the InChIKey of N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine?
The InChIKey is YYIHXNRJLUEVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-26(16-4-2-3-5-16)12-14-6-7-18-15(10-14)11-19(25-18)17-8-9-22-21-20(17)23-13-24-21/h6-10,13,16,19,25H,2-5,11-12H2,1H3,(H,22,23,24).
What are the key properties of N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine?
N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine has a molecular weight of 347.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine is sourced from PubChem (CID 70809407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).