6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

C29H29F2N5O5 — CID 90344039

IUPAC6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)c(OC(F)F)cc21
InChIInChI=1S/C29H29F2N5O5/c1-32-29(39)36-13-7-20-14-24(25(16-23(20)36)41-28(30)31)40-22-6-10-33-26(15-22)34-27(38)19-4-2-18(3-5-19)17-35-11-8-21(37)9-12-35/h2-7,10,13-16,21,28,37H,8-9,11-12,17H2,1H3,(H,32,39)(H,33,34,38)
InChIKeyYDBBVFOJFBRLOV-UHFFFAOYSA-N
MW565.58 g/mol
LogP4.83
Rot. Bonds8

About 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (PubChem CID 90344039) has the molecular formula C29H29F2N5O5 and a molecular weight of 565.58 g/mol. Its IUPAC name is 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
PubChem CID90344039
Molecular FormulaC29H29F2N5O5
Molecular Weight565.58 g/mol
Exact Mass565.21
IUPAC Name6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)c(OC(F)F)cc21
InChIInChI=1S/C29H29F2N5O5/c1-32-29(39)36-13-7-20-14-24(25(16-23(20)36)41-28(30)31)40-22-6-10-33-26(15-22)34-27(38)19-4-2-18(3-5-19)17-35-11-8-21(37)9-12-35/h2-7,10,13-16,21,28,37H,8-9,11-12,17H2,1H3,(H,32,39)(H,33,34,38)
InChIKeyYDBBVFOJFBRLOV-UHFFFAOYSA-N
XLogP4.83
TPSA117.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.58
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-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 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The IUPAC name of 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (CID 90344039) is 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.
What is the SMILES notation for 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The canonical SMILES for 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)c(OC(F)F)cc21.
What is the InChIKey of 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The InChIKey is YDBBVFOJFBRLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N5O5/c1-32-29(39)36-13-7-20-14-24(25(16-23(20)36)41-28(30)31)40-22-6-10-33-26(15-22)34-27(38)19-4-2-18(3-5-19)17-35-11-8-21(37)9-12-35/h2-7,10,13-16,21,28,37H,8-9,11-12,17H2,1H3,(H,32,39)(H,33,34,38).
What are the key properties of 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide has a molecular weight of 565.58 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is sourced from PubChem (CID 90344039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).