N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide

C31H35F2N5O — CID 10289502

IUPACN-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide
SMILESCCCCN(Cc1nc2cnccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C31H35F2N5O/c1-2-3-18-37(31(39)25-12-9-13-26(32)30(25)33)22-29-35-27-19-34-15-14-28(27)38(29)21-24-11-6-5-10-23(24)20-36-16-7-4-8-17-36/h5-6,9-15,19H,2-4,7-8,16-18,20-22H2,1H3
InChIKeyFWAWWJYCTSXUSK-UHFFFAOYSA-N
MW531.65 g/mol
LogP6.19
Rot. Bonds10

About N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide

N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide (PubChem CID 10289502) has the molecular formula C31H35F2N5O and a molecular weight of 531.65 g/mol. Its IUPAC name is N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide
PubChem CID10289502
Molecular FormulaC31H35F2N5O
Molecular Weight531.65 g/mol
Exact Mass531.28
IUPAC NameN-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide
SMILESCCCCN(Cc1nc2cnccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C31H35F2N5O/c1-2-3-18-37(31(39)25-12-9-13-26(32)30(25)33)22-29-35-27-19-34-15-14-28(27)38(29)21-24-11-6-5-10-23(24)20-36-16-7-4-8-17-36/h5-6,9-15,19H,2-4,7-8,16-18,20-22H2,1H3
InChIKeyFWAWWJYCTSXUSK-UHFFFAOYSA-N
XLogP6.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide?
The IUPAC name of N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide (CID 10289502) is N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide.
What is the SMILES notation for N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide?
The canonical SMILES for N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide is CCCCN(Cc1nc2cnccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide?
The InChIKey is FWAWWJYCTSXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F2N5O/c1-2-3-18-37(31(39)25-12-9-13-26(32)30(25)33)22-29-35-27-19-34-15-14-28(27)38(29)21-24-11-6-5-10-23(24)20-36-16-7-4-8-17-36/h5-6,9-15,19H,2-4,7-8,16-18,20-22H2,1H3.
What are the key properties of N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide?
N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide has a molecular weight of 531.65 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]benzamide is sourced from PubChem (CID 10289502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).