N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide

C33H34F3N5O3 — CID 89499249

IUPACN-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide
SMILESCOc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]cc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C33H34F3N5O3/c1-44-30-4-2-3-27(34)26(30)20-41-19-23(6-8-29(41)32(43)40-15-11-33(35,36)12-16-40)39-31(42)22-5-7-28-24(17-22)25(18-38-28)21-9-13-37-14-10-21/h2-5,7,9-10,13-14,17-18,23,29,38H,6,8,11-12,15-16,19-20H2,1H3,(H,39,42)/t23-,29+/m1/s1
InChIKeyUJUMONWMOJEYKR-BTYSJIOQSA-N
MW605.66 g/mol
LogP5.40
Rot. Bonds7

About N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide

N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide (PubChem CID 89499249) has the molecular formula C33H34F3N5O3 and a molecular weight of 605.66 g/mol. Its IUPAC name is N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide
PubChem CID89499249
Molecular FormulaC33H34F3N5O3
Molecular Weight605.66 g/mol
Exact Mass605.26
IUPAC NameN-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide
SMILESCOc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]cc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C33H34F3N5O3/c1-44-30-4-2-3-27(34)26(30)20-41-19-23(6-8-29(41)32(43)40-15-11-33(35,36)12-16-40)39-31(42)22-5-7-28-24(17-22)25(18-38-28)21-9-13-37-14-10-21/h2-5,7,9-10,13-14,17-18,23,29,38H,6,8,11-12,15-16,19-20H2,1H3,(H,39,42)/t23-,29+/m1/s1
InChIKeyUJUMONWMOJEYKR-BTYSJIOQSA-N
XLogP5.40
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.66
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-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 N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide?
The IUPAC name of N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide (CID 89499249) is N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide is COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]cc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide?
The InChIKey is UJUMONWMOJEYKR-BTYSJIOQSA-N. The full InChI is InChI=1S/C33H34F3N5O3/c1-44-30-4-2-3-27(34)26(30)20-41-19-23(6-8-29(41)32(43)40-15-11-33(35,36)12-16-40)39-31(42)22-5-7-28-24(17-22)25(18-38-28)21-9-13-37-14-10-21/h2-5,7,9-10,13-14,17-18,23,29,38H,6,8,11-12,15-16,19-20H2,1H3,(H,39,42)/t23-,29+/m1/s1.
What are the key properties of N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide?
N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide has a molecular weight of 605.66 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 89499249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).