N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide

C33H31F2N5O — CID 83276200

IUPACN-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(C(=O)Nc5ccc(F)cc5F)CC4)n3c2)c1
InChIInChI=1S/C33H31F2N5O/c1-22-8-9-23(2)27(18-22)25-10-13-31-37-32(24-6-4-3-5-7-24)30(40(31)20-25)21-38-14-16-39(17-15-38)33(41)36-29-12-11-26(34)19-28(29)35/h3-13,18-20H,14-17,21H2,1-2H3,(H,36,41)
InChIKeyNRFLPRVBDARVGV-UHFFFAOYSA-N
MW551.64 g/mol
LogP6.91
Rot. Bonds5

About N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 83276200) has the molecular formula C33H31F2N5O and a molecular weight of 551.64 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
PubChem CID83276200
Molecular FormulaC33H31F2N5O
Molecular Weight551.64 g/mol
Exact Mass551.25
IUPAC NameN-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(C(=O)Nc5ccc(F)cc5F)CC4)n3c2)c1
InChIInChI=1S/C33H31F2N5O/c1-22-8-9-23(2)27(18-22)25-10-13-31-37-32(24-6-4-3-5-7-24)30(40(31)20-25)21-38-14-16-39(17-15-38)33(41)36-29-12-11-26(34)19-28(29)35/h3-13,18-20H,14-17,21H2,1-2H3,(H,36,41)
InChIKeyNRFLPRVBDARVGV-UHFFFAOYSA-N
XLogP6.91
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.64
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide (CID 83276200) is N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide is Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(C(=O)Nc5ccc(F)cc5F)CC4)n3c2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is NRFLPRVBDARVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N5O/c1-22-8-9-23(2)27(18-22)25-10-13-31-37-32(24-6-4-3-5-7-24)30(40(31)20-25)21-38-14-16-39(17-15-38)33(41)36-29-12-11-26(34)19-28(29)35/h3-13,18-20H,14-17,21H2,1-2H3,(H,36,41).
What are the key properties of N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 551.64 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 83276200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).