N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide

C23H27FN6O2 — CID 53194752

IUPACN-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)NCc3cccc(F)c3)CC2)nc2ccncc21
InChIInChI=1S/C23H27FN6O2/c1-16(2)15-30-20-14-25-7-6-19(20)27-21(22(30)31)28-8-10-29(11-9-28)23(32)26-13-17-4-3-5-18(24)12-17/h3-7,12,14,16H,8-11,13,15H2,1-2H3,(H,26,32)
InChIKeyXNCIKDNMEGRCCH-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.62
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide

N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide (PubChem CID 53194752) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
PubChem CID53194752
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC NameN-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)NCc3cccc(F)c3)CC2)nc2ccncc21
InChIInChI=1S/C23H27FN6O2/c1-16(2)15-30-20-14-25-7-6-19(20)27-21(22(30)31)28-8-10-29(11-9-28)23(32)26-13-17-4-3-5-18(24)12-17/h3-7,12,14,16H,8-11,13,15H2,1-2H3,(H,26,32)
InChIKeyXNCIKDNMEGRCCH-UHFFFAOYSA-N
XLogP2.62
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide (CID 53194752) is N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide is CC(C)Cn1c(=O)c(N2CCN(C(=O)NCc3cccc(F)c3)CC2)nc2ccncc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The InChIKey is XNCIKDNMEGRCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-16(2)15-30-20-14-25-7-6-19(20)27-21(22(30)31)28-8-10-29(11-9-28)23(32)26-13-17-4-3-5-18(24)12-17/h3-7,12,14,16H,8-11,13,15H2,1-2H3,(H,26,32).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53194752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).