N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide

C28H40N6O — CID 66588293

IUPACN,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cnc2nc(-c3ccccc3)n(CCCN3CCCCC3)c2n1
InChIInChI=1S/C28H40N6O/c1-3-5-19-33(20-6-4-2)28(35)24-22-29-25-27(30-24)34(21-13-18-32-16-11-8-12-17-32)26(31-25)23-14-9-7-10-15-23/h7,9-10,14-15,22H,3-6,8,11-13,16-21H2,1-2H3
InChIKeyWYVBQMPUGOVCHY-UHFFFAOYSA-N
MW476.67 g/mol
LogP5.41
Rot. Bonds12

About N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide

N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide (PubChem CID 66588293) has the molecular formula C28H40N6O and a molecular weight of 476.67 g/mol. Its IUPAC name is N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide
PubChem CID66588293
Molecular FormulaC28H40N6O
Molecular Weight476.67 g/mol
Exact Mass476.33
IUPAC NameN,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cnc2nc(-c3ccccc3)n(CCCN3CCCCC3)c2n1
InChIInChI=1S/C28H40N6O/c1-3-5-19-33(20-6-4-2)28(35)24-22-29-25-27(30-24)34(21-13-18-32-16-11-8-12-17-32)26(31-25)23-14-9-7-10-15-23/h7,9-10,14-15,22H,3-6,8,11-13,16-21H2,1-2H3
InChIKeyWYVBQMPUGOVCHY-UHFFFAOYSA-N
XLogP5.41
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide with MolForge

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Related Compounds

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4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
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4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
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CID 95028
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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide?
The IUPAC name of N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide (CID 66588293) is N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide?
The canonical SMILES for N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide is CCCCN(CCCC)C(=O)c1cnc2nc(-c3ccccc3)n(CCCN3CCCCC3)c2n1.
What is the InChIKey of N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide?
The InChIKey is WYVBQMPUGOVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O/c1-3-5-19-33(20-6-4-2)28(35)24-22-29-25-27(30-24)34(21-13-18-32-16-11-8-12-17-32)26(31-25)23-14-9-7-10-15-23/h7,9-10,14-15,22H,3-6,8,11-13,16-21H2,1-2H3.
What are the key properties of N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide?
N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide has a molecular weight of 476.67 g/mol, XLogP of 5.41, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-phenyl-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyrazine-5-carboxamide is sourced from PubChem (CID 66588293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).