N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide

C25H26N6O3 — CID 53069995

IUPACN-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCN(C(=O)NCc4ccco4)CC3)nc3cccnc32)cc1
InChIInChI=1S/C25H26N6O3/c1-18-6-8-19(9-7-18)17-31-22-21(5-2-10-26-22)28-23(24(31)32)29-11-13-30(14-12-29)25(33)27-16-20-4-3-15-34-20/h2-10,15H,11-14,16-17H2,1H3,(H,27,33)
InChIKeyJPIDBUUQVJKVNG-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.77
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide

N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide (PubChem CID 53069995) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide
PubChem CID53069995
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCN(C(=O)NCc4ccco4)CC3)nc3cccnc32)cc1
InChIInChI=1S/C25H26N6O3/c1-18-6-8-19(9-7-18)17-31-22-21(5-2-10-26-22)28-23(24(31)32)29-11-13-30(14-12-29)25(33)27-16-20-4-3-15-34-20/h2-10,15H,11-14,16-17H2,1H3,(H,27,33)
InChIKeyJPIDBUUQVJKVNG-UHFFFAOYSA-N
XLogP2.77
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide (CID 53069995) is N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)NCc4ccco4)CC3)nc3cccnc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide?
The InChIKey is JPIDBUUQVJKVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-18-6-8-19(9-7-18)17-31-22-21(5-2-10-26-22)28-23(24(31)32)29-11-13-30(14-12-29)25(33)27-16-20-4-3-15-34-20/h2-10,15H,11-14,16-17H2,1H3,(H,27,33).
What are the key properties of N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide?
N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53069995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).