3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C27H30ClN7O2 — CID 171382458

IUPAC3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(Nc2nc3cccnc3n2Cc2ccco2)CC1.Cl
InChIInChI=1S/C27H29N7O2.ClH/c1-19-22(26(35)33-13-3-2-8-24(33)29-19)11-16-32-14-9-20(10-15-32)30-27-31-23-7-4-12-28-25(23)34(27)18-21-6-5-17-36-21;/h2-8,12-13,17,20H,9-11,14-16,18H2,1H3,(H,30,31);1H
InChIKeyVWXMGKLELXMPIG-UHFFFAOYSA-N
MW520.04 g/mol
LogP3.93
Rot. Bonds7

About 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 171382458) has the molecular formula C27H30ClN7O2 and a molecular weight of 520.04 g/mol. Its IUPAC name is 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID171382458
Molecular FormulaC27H30ClN7O2
Molecular Weight520.04 g/mol
Exact Mass519.21
IUPAC Name3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(Nc2nc3cccnc3n2Cc2ccco2)CC1.Cl
InChIInChI=1S/C27H29N7O2.ClH/c1-19-22(26(35)33-13-3-2-8-24(33)29-19)11-16-32-14-9-20(10-15-32)30-27-31-23-7-4-12-28-25(23)34(27)18-21-6-5-17-36-21;/h2-8,12-13,17,20H,9-11,14-16,18H2,1H3,(H,30,31);1H
InChIKeyVWXMGKLELXMPIG-UHFFFAOYSA-N
XLogP3.93
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.04
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one
CID 15037404
7-methyl-6-[2-[4-[[3-[(5-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]azepan-1-yl]ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 15037439
7-methyl-6-[2-[4-[[9-(thiophen-2-ylmethyl)purin-8-yl]amino]piperidin-1-yl]ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrate
CID 67878744
4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
CID 139831398
3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 100766108
1-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-1-sulfanylurea
CID 88707524
3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid
CID 86743720
ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
CID 14677557
N-(furan-2-ylmethyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389445
1,3-dibenzyl-3-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 54249979
3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162140
2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one
CID 126800488

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 171382458) is 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1nc2ccccn2c(=O)c1CCN1CCC(Nc2nc3cccnc3n2Cc2ccco2)CC1.Cl.
What is the InChIKey of 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is VWXMGKLELXMPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2.ClH/c1-19-22(26(35)33-13-3-2-8-24(33)29-19)11-16-32-14-9-20(10-15-32)30-27-31-23-7-4-12-28-25(23)34(27)18-21-6-5-17-36-21;/h2-8,12-13,17,20H,9-11,14-16,18H2,1H3,(H,30,31);1H.
What are the key properties of 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 520.04 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 171382458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).