N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide

C27H27FN6O — CID 6479844

IUPACN-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide
SMILESCc1c(CN2CCN(c3ccc(F)cc3)CC2)cc(-c2ccccc2)n1NC(=O)c1cnccn1
InChIInChI=1S/C27H27FN6O/c1-20-22(19-32-13-15-33(16-14-32)24-9-7-23(28)8-10-24)17-26(21-5-3-2-4-6-21)34(20)31-27(35)25-18-29-11-12-30-25/h2-12,17-18H,13-16,19H2,1H3,(H,31,35)
InChIKeyMCDLIEHCNQZRPV-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.10
Rot. Bonds6

About N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide

N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide (PubChem CID 6479844) has the molecular formula C27H27FN6O and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide
PubChem CID6479844
Molecular FormulaC27H27FN6O
Molecular Weight470.55 g/mol
Exact Mass470.22
IUPAC NameN-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide
SMILESCc1c(CN2CCN(c3ccc(F)cc3)CC2)cc(-c2ccccc2)n1NC(=O)c1cnccn1
InChIInChI=1S/C27H27FN6O/c1-20-22(19-32-13-15-33(16-14-32)24-9-7-23(28)8-10-24)17-26(21-5-3-2-4-6-21)34(20)31-27(35)25-18-29-11-12-30-25/h2-12,17-18H,13-16,19H2,1H3,(H,31,35)
InChIKeyMCDLIEHCNQZRPV-UHFFFAOYSA-N
XLogP4.10
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide (CID 6479844) is N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide is Cc1c(CN2CCN(c3ccc(F)cc3)CC2)cc(-c2ccccc2)n1NC(=O)c1cnccn1.
What is the InChIKey of N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide?
The InChIKey is MCDLIEHCNQZRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O/c1-20-22(19-32-13-15-33(16-14-32)24-9-7-23(28)8-10-24)17-26(21-5-3-2-4-6-21)34(20)31-27(35)25-18-29-11-12-30-25/h2-12,17-18H,13-16,19H2,1H3,(H,31,35).
What are the key properties of N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide?
N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenylpyrrol-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 6479844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).