5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

C31H39FN8O3 — CID 162719668

IUPAC5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C4CN(CC5CNC5)C4)CC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C31H39FN8O3/c1-43-26-7-6-22(32)12-25(26)31(42)36-15-19-2-4-21(5-3-19)28-27(30(34)41)29(33)40(37-28)23-8-10-39(11-9-23)24-17-38(18-24)16-20-13-35-14-20/h2-7,12,20,23-24,35H,8-11,13-18,33H2,1H3,(H2,34,41)(H,36,42)
InChIKeyIBWARAAEVKDEMZ-UHFFFAOYSA-N
MW590.70 g/mol
LogP1.85
Rot. Bonds10

About 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 162719668) has the molecular formula C31H39FN8O3 and a molecular weight of 590.70 g/mol. Its IUPAC name is 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
PubChem CID162719668
Molecular FormulaC31H39FN8O3
Molecular Weight590.70 g/mol
Exact Mass590.31
IUPAC Name5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C4CN(CC5CNC5)C4)CC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C31H39FN8O3/c1-43-26-7-6-22(32)12-25(26)31(42)36-15-19-2-4-21(5-3-19)28-27(30(34)41)29(33)40(37-28)23-8-10-39(11-9-23)24-17-38(18-24)16-20-13-35-14-20/h2-7,12,20,23-24,35H,8-11,13-18,33H2,1H3,(H2,34,41)(H,36,42)
InChIKeyIBWARAAEVKDEMZ-UHFFFAOYSA-N
XLogP1.85
TPSA143.77 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.70
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-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

5-amino-1-[1-[1-(azetidin-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 162719649
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 162719658
5-amino-1-[(3S)-1-[(1R,2S)-2-fluorocyclopropanecarbonyl]pyrrolidin-3-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163207924
5-amino-1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163207901
5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129269657
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129269815
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772
5-amino-1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248194
5-amino-1-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248424

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (CID 162719668) is 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C4CN(CC5CNC5)C4)CC3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is IBWARAAEVKDEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN8O3/c1-43-26-7-6-22(32)12-25(26)31(42)36-15-19-2-4-21(5-3-19)28-27(30(34)41)29(33)40(37-28)23-8-10-39(11-9-23)24-17-38(18-24)16-20-13-35-14-20/h2-7,12,20,23-24,35H,8-11,13-18,33H2,1H3,(H2,34,41)(H,36,42).
What are the key properties of 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 590.70 g/mol, XLogP of 1.85, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162719668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).