5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

C23H29Cl2N7O — CID 11997684

IUPAC5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESCC[C@H]1CN(c2nc3[nH]c(=O)[nH]c3nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29Cl2N7O/c1-2-17-14-31(22-19(25)26-20-21(27-22)29-23(33)28-20)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,27,28,29,33)/t17-/m0/s1
InChIKeyIFDLILMQEBDCBV-KRWDZBQOSA-N
MW490.44 g/mol
LogP3.52
Rot. Bonds5

About 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (PubChem CID 11997684) has the molecular formula C23H29Cl2N7O and a molecular weight of 490.44 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
PubChem CID11997684
Molecular FormulaC23H29Cl2N7O
Molecular Weight490.44 g/mol
Exact Mass489.18
IUPAC Name5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESCC[C@H]1CN(c2nc3[nH]c(=O)[nH]c3nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29Cl2N7O/c1-2-17-14-31(22-19(25)26-20-21(27-22)29-23(33)28-20)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,27,28,29,33)/t17-/m0/s1
InChIKeyIFDLILMQEBDCBV-KRWDZBQOSA-N
XLogP3.52
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one with MolForge

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Related Compounds

tert-butyl 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2-oxo-1H-imidazo[4,5-b]pyrazine-3-carboxylate
CID 11997828
3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[(3R)-2-oxooxolan-3-yl]pyrazine-2-carboxamide
CID 11996050
3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[(3S)-2-oxooxolan-3-yl]pyrazine-2-carboxamide
CID 58830232
1-[[3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carbonyl]amino]-3-methylthiourea
CID 58830182
3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
CID 143280991
N-[6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-5-methyl-3-pyridinyl]methanesulfonamide
CID 143279979
[6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine
CID 59427716
3-amino-5-[(3S)-4-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]pyrazine-2-carboxamide
CID 88983277
methyl 2-[[3-amino-6-chloro-5-[(3S)-3-ethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]amino]acetate
CID 88978264
3-amino-6-chloro-5-[(3S)-4-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 88976353
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide;molecular hydrogen
CID 161221227
methyl 2-[2-[[4-[(2S)-4-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chlorophenyl]acetate
CID 58830393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (CID 11997684) is 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is CC[C@H]1CN(c2nc3[nH]c(=O)[nH]c3nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The InChIKey is IFDLILMQEBDCBV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29Cl2N7O/c1-2-17-14-31(22-19(25)26-20-21(27-22)29-23(33)28-20)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,27,28,29,33)/t17-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one has a molecular weight of 490.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 11997684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).