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

C29H41N7 — CID 143518633

IUPAC5-[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
SMILESCC(C)N(CC1N=C2C=CC=C(N3CCC(N(C)C)CC3)N2C1(C)C#N)[C@H]1CCCc2cccnc21
InChIInChI=1S/C29H41N7/c1-21(2)35(24-11-6-9-22-10-8-16-31-28(22)24)19-25-29(3,20-30)36-26(32-25)12-7-13-27(36)34-17-14-23(15-18-34)33(4)5/h7-8,10,12-13,16,21,23-25H,6,9,11,14-15,17-19H2,1-5H3/t24-,25?,29?/m0/s1
InChIKeyUXHGRXDASLSBLN-KOKAMKNVSA-N
MW487.70 g/mol
LogP3.97
Rot. Bonds6

About 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

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 (PubChem CID 143518633) has the molecular formula C29H41N7 and a molecular weight of 487.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID143518633
Molecular FormulaC29H41N7
Molecular Weight487.70 g/mol
Exact Mass487.34
IUPAC Name5-[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
SMILESCC(C)N(CC1N=C2C=CC=C(N3CCC(N(C)C)CC3)N2C1(C)C#N)[C@H]1CCCc2cccnc21
InChIInChI=1S/C29H41N7/c1-21(2)35(24-11-6-9-22-10-8-16-31-28(22)24)19-25-29(3,20-30)36-26(32-25)12-7-13-27(36)34-17-14-23(15-18-34)33(4)5/h7-8,10,12-13,16,21,23-25H,6,9,11,14-15,17-19H2,1-5H3/t24-,25?,29?/m0/s1
InChIKeyUXHGRXDASLSBLN-KOKAMKNVSA-N
XLogP3.97
TPSA62.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.70
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

(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
(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
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
N-[[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501628
[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
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
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-[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
[3-[(1Z)-1-[3-(dimethylamino)pyrrolidin-1-yl]buta-1,3-dienyl]-5-[[propan-2-yl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazol-4-yl]methanol
CID 143196465
N-[[5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11509653
(8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159098315
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(CC1N=C2C=CC=C(N3CCC(N(C)C)CC3)N2C1(C)C#N)[C@H]1CCCc2cccnc21.
What is the InChIKey of 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?
The InChIKey is UXHGRXDASLSBLN-KOKAMKNVSA-N. The full InChI is InChI=1S/C29H41N7/c1-21(2)35(24-11-6-9-22-10-8-16-31-28(22)24)19-25-29(3,20-30)36-26(32-25)12-7-13-27(36)34-17-14-23(15-18-34)33(4)5/h7-8,10,12-13,16,21,23-25H,6,9,11,14-15,17-19H2,1-5H3/t24-,25?,29?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 487.70 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143518633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).