[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride

C16H21Cl2N5O3 — CID 154894348

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccco1)N1CCN(C(=O)C2NCCc3[nH]cnc32)CC1
InChIInChI=1S/C16H19N5O3.2ClH/c22-15(12-2-1-9-24-12)20-5-7-21(8-6-20)16(23)14-13-11(3-4-17-14)18-10-19-13;;/h1-2,9-10,14,17H,3-8H2,(H,18,19);2*1H
InChIKeyIBXMUJOEJAPTRG-UHFFFAOYSA-N
MW402.28 g/mol
LogP1.02
Rot. Bonds2

About [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride

[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride (PubChem CID 154894348) has the molecular formula C16H21Cl2N5O3 and a molecular weight of 402.28 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride
PubChem CID154894348
Molecular FormulaC16H21Cl2N5O3
Molecular Weight402.28 g/mol
Exact Mass401.10
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccco1)N1CCN(C(=O)C2NCCc3[nH]cnc32)CC1
InChIInChI=1S/C16H19N5O3.2ClH/c22-15(12-2-1-9-24-12)20-5-7-21(8-6-20)16(23)14-13-11(3-4-17-14)18-10-19-13;;/h1-2,9-10,14,17H,3-8H2,(H,18,19);2*1H
InChIKeyIBXMUJOEJAPTRG-UHFFFAOYSA-N
XLogP1.02
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride 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-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95896211
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
(1S,2S,3R,4S)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18557845
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110807785
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 43603970
furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 95200329

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride (CID 154894348) is [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1ccco1)N1CCN(C(=O)C2NCCc3[nH]cnc32)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride?
The InChIKey is IBXMUJOEJAPTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3.2ClH/c22-15(12-2-1-9-24-12)20-5-7-21(8-6-20)16(23)14-13-11(3-4-17-14)18-10-19-13;;/h1-2,9-10,14,17H,3-8H2,(H,18,19);2*1H.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride?
[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride has a molecular weight of 402.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 154894348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).