N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide

C34H35F3N4O5 — CID 151984422

IUPACN-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide
SMILESO=C(NCCOCC1CC1)c1ccc2nn(CC3CCCCN3C(=O)c3ccc(Oc4ccc(F)cc4)cc3)cc2c1OC(F)F
InChIInChI=1S/C34H35F3N4O5/c35-24-8-12-27(13-9-24)45-26-10-6-23(7-11-26)33(43)41-17-2-1-3-25(41)19-40-20-29-30(39-40)15-14-28(31(29)46-34(36)37)32(42)38-16-18-44-21-22-4-5-22/h6-15,20,22,25,34H,1-5,16-19,21H2,(H,38,42)
InChIKeyUDJBDNDBFKFSAD-UHFFFAOYSA-N
MW636.67 g/mol
LogP6.42
Rot. Bonds13

About N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide

N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide (PubChem CID 151984422) has the molecular formula C34H35F3N4O5 and a molecular weight of 636.67 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide
PubChem CID151984422
Molecular FormulaC34H35F3N4O5
Molecular Weight636.67 g/mol
Exact Mass636.26
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide
SMILESO=C(NCCOCC1CC1)c1ccc2nn(CC3CCCCN3C(=O)c3ccc(Oc4ccc(F)cc4)cc3)cc2c1OC(F)F
InChIInChI=1S/C34H35F3N4O5/c35-24-8-12-27(13-9-24)45-26-10-6-23(7-11-26)33(43)41-17-2-1-3-25(41)19-40-20-29-30(39-40)15-14-28(31(29)46-34(36)37)32(42)38-16-18-44-21-22-4-5-22/h6-15,20,22,25,34H,1-5,16-19,21H2,(H,38,42)
InChIKeyUDJBDNDBFKFSAD-UHFFFAOYSA-N
XLogP6.42
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.67
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-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

Related Compounds

2-(cyclohexylmethyl)-5-(2,4-difluorophenoxy)-N-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]indazole-6-carboxamide
CID 176205036
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
CID 155438892
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 164554543
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 164554562
[4-(3-fluoro-5-piperazin-1-ylphenoxy)piperidin-1-yl]-[3-(1H-indazol-5-yl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanone;dihydrochloride
CID 166087324
[4-(3-fluoro-5-piperazin-1-ylphenoxy)piperidin-1-yl]-[3-(1H-indazol-6-yl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanone;dihydrochloride
CID 166087412
N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 169132465
US20240300923, Example 20
CID 169132490
Irak4-IN-30
CID 170227690
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781
N-(1-methyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 177372733
N-(1-cyclobutyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 177372735

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide (CID 151984422) is N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide is O=C(NCCOCC1CC1)c1ccc2nn(CC3CCCCN3C(=O)c3ccc(Oc4ccc(F)cc4)cc3)cc2c1OC(F)F.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide?
The InChIKey is UDJBDNDBFKFSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N4O5/c35-24-8-12-27(13-9-24)45-26-10-6-23(7-11-26)33(43)41-17-2-1-3-25(41)19-40-20-29-30(39-40)15-14-28(31(29)46-34(36)37)32(42)38-16-18-44-21-22-4-5-22/h6-15,20,22,25,34H,1-5,16-19,21H2,(H,38,42).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide?
N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide has a molecular weight of 636.67 g/mol, XLogP of 6.42, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-4-(difluoromethoxy)-2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide is sourced from PubChem (CID 151984422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).