[5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol

C29H37N7O — CID 71088892

IUPAC[5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol
SMILESCN1CCN(C2=CC=CC3=NC(CN(Cc4ccncc4)[C@H]4CCCc5cccnc54)C(CO)N23)CC1
InChIInChI=1S/C29H37N7O/c1-33-15-17-34(18-16-33)28-9-3-8-27-32-24(26(21-37)36(27)28)20-35(19-22-10-13-30-14-11-22)25-7-2-5-23-6-4-12-31-29(23)25/h3-4,6,8-14,24-26,37H,2,5,7,15-21H2,1H3/t24?,25-,26?/m0/s1
InChIKeyFVIKWBWVLLAXAD-JNLGVIEDSA-N
MW499.66 g/mol
LogP2.46
Rot. Bonds7

About [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol

[5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 71088892) has the molecular formula C29H37N7O and a molecular weight of 499.66 g/mol. Its IUPAC name is [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID71088892
Molecular FormulaC29H37N7O
Molecular Weight499.66 g/mol
Exact Mass499.31
IUPAC Name[5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol
SMILESCN1CCN(C2=CC=CC3=NC(CN(Cc4ccncc4)[C@H]4CCCc5cccnc54)C(CO)N23)CC1
InChIInChI=1S/C29H37N7O/c1-33-15-17-34(18-16-33)28-9-3-8-27-32-24(26(21-37)36(27)28)20-35(19-22-10-13-30-14-11-22)25-7-2-5-23-6-4-12-31-29(23)25/h3-4,6,8-14,24-26,37H,2,5,7,15-21H2,1H3/t24?,25-,26?/m0/s1
InChIKeyFVIKWBWVLLAXAD-JNLGVIEDSA-N
XLogP2.46
TPSA71.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

benzyl N-[[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]carbamate
CID 71067143
1-[[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]-3-phenylurea
CID 71067095
tert-butyl N-[(3R)-1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 71160232
1-[4-(dimethylamino)phenyl]-3-[[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]urea
CID 71067071
(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71162773
2-[[ethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(4-methylpiperazin-1-yl)-9H-imidazo[1,2-a]azepine-3-carbonitrile
CID 143518539
(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11627977
(8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71160294
5-[4-(dimethylamino)piperidin-1-yl]-3-methyl-2-[[propan-2-yl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2H-imidazo[1,2-a]pyridine-3-carbonitrile
CID 143518633
N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276096
(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11675794
3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 155373924

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol (CID 71088892) is [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol is CN1CCN(C2=CC=CC3=NC(CN(Cc4ccncc4)[C@H]4CCCc5cccnc54)C(CO)N23)CC1.
What is the InChIKey of [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is FVIKWBWVLLAXAD-JNLGVIEDSA-N. The full InChI is InChI=1S/C29H37N7O/c1-33-15-17-34(18-16-33)28-9-3-8-27-32-24(26(21-37)36(27)28)20-35(19-22-10-13-30-14-11-22)25-7-2-5-23-6-4-12-31-29(23)25/h3-4,6,8-14,24-26,37H,2,5,7,15-21H2,1H3/t24?,25-,26?/m0/s1.
What are the key properties of [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol?
[5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 499.66 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 71088892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).