1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C24H26ClF2N5O2 — CID 20801156

IUPAC1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3cc(F)cc(F)c3n2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H26ClF2N5O2/c1-14(2)31-7-5-18(6-8-31)29-24(34)20-10-15-9-17(26)11-19(27)23(15)32(20)13-22(33)30-21-4-3-16(25)12-28-21/h3-4,9-12,14,18H,5-8,13H2,1-2H3,(H,29,34)(H,28,30,33)
InChIKeyRQZVAMABNDVZPG-UHFFFAOYSA-N
MW489.95 g/mol
LogP4.21
Rot. Bonds6

About 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801156) has the molecular formula C24H26ClF2N5O2 and a molecular weight of 489.95 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801156
Molecular FormulaC24H26ClF2N5O2
Molecular Weight489.95 g/mol
Exact Mass489.17
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3cc(F)cc(F)c3n2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H26ClF2N5O2/c1-14(2)31-7-5-18(6-8-31)29-24(34)20-10-15-9-17(26)11-19(27)23(15)32(20)13-22(33)30-21-4-3-16(25)12-28-21/h3-4,9-12,14,18H,5-8,13H2,1-2H3,(H,29,34)(H,28,30,33)
InChIKeyRQZVAMABNDVZPG-UHFFFAOYSA-N
XLogP4.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.95
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801156) is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3cc(F)cc(F)c3n2CC(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is RQZVAMABNDVZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N5O2/c1-14(2)31-7-5-18(6-8-31)29-24(34)20-10-15-9-17(26)11-19(27)23(15)32(20)13-22(33)30-21-4-3-16(25)12-28-21/h3-4,9-12,14,18H,5-8,13H2,1-2H3,(H,29,34)(H,28,30,33).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 489.95 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5,7-difluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).