2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C25H26ClN5O — CID 24817412

IUPAC2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C25H26ClN5O/c1-29-16-18(20-6-3-5-9-23(20)29)17-30-14-11-19(12-15-30)31-24(10-13-27-31)28-25(32)21-7-2-4-8-22(21)26/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,28,32)
InChIKeyFBPORJVPTDCLFE-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.12
Rot. Bonds5

About 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24817412) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24817412
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C25H26ClN5O/c1-29-16-18(20-6-3-5-9-23(20)29)17-30-14-11-19(12-15-30)31-24(10-13-27-31)28-25(32)21-7-2-4-8-22(21)26/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,28,32)
InChIKeyFBPORJVPTDCLFE-UHFFFAOYSA-N
XLogP5.12
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 68310278
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24817412) is 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c2ccccc21.
What is the InChIKey of 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is FBPORJVPTDCLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-29-16-18(20-6-3-5-9-23(20)29)17-30-14-11-19(12-15-30)31-24(10-13-27-31)28-25(32)21-7-2-4-8-22(21)26/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,28,32).
What are the key properties of 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 447.97 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24817412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).