3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one

C27H32N10O2 — CID 162053405

IUPAC3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1C1CCN(Cc2ccccc2)CC1.O=c1[nH]c2nccnc2n1C1CCNCC1
InChIInChI=1S/C17H19N5O.C10H13N5O/c23-17-20-15-16(19-9-8-18-15)22(17)14-6-10-21(11-7-14)12-13-4-2-1-3-5-13;16-10-14-8-9(13-6-5-12-8)15(10)7-1-3-11-4-2-7/h1-5,8-9,14H,6-7,10-12H2,(H,18,20,23);5-7,11H,1-4H2,(H,12,14,16)
InChIKeyYYVQVVCWXPTHRW-UHFFFAOYSA-N
MW528.62 g/mol
LogP2.00
Rot. Bonds4

About 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 162053405) has the molecular formula C27H32N10O2 and a molecular weight of 528.62 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID162053405
Molecular FormulaC27H32N10O2
Molecular Weight528.62 g/mol
Exact Mass528.27
IUPAC Name3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1C1CCN(Cc2ccccc2)CC1.O=c1[nH]c2nccnc2n1C1CCNCC1
InChIInChI=1S/C17H19N5O.C10H13N5O/c23-17-20-15-16(19-9-8-18-15)22(17)14-6-10-21(11-7-14)12-13-4-2-1-3-5-13;16-10-14-8-9(13-6-5-12-8)15(10)7-1-3-11-4-2-7/h1-5,8-9,14H,6-7,10-12H2,(H,18,20,23);5-7,11H,1-4H2,(H,12,14,16)
InChIKeyYYVQVVCWXPTHRW-UHFFFAOYSA-N
XLogP2.00
TPSA142.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
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3-[1-[[4-(5,6-dimethyl-3-phenylpyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 162053405) is 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nccnc2n1C1CCN(Cc2ccccc2)CC1.O=c1[nH]c2nccnc2n1C1CCNCC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is YYVQVVCWXPTHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.C10H13N5O/c23-17-20-15-16(19-9-8-18-15)22(17)14-6-10-21(11-7-14)12-13-4-2-1-3-5-13;16-10-14-8-9(13-6-5-12-8)15(10)7-1-3-11-4-2-7/h1-5,8-9,14H,6-7,10-12H2,(H,18,20,23);5-7,11H,1-4H2,(H,12,14,16).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 528.62 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 162053405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).