5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide

C23H24N6O3 — CID 90136278

IUPAC5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide
SMILESCOc1cccc(Oc2ccc(-c3nn(C4CCCN(C#N)C4)c(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C23H24N6O3/c1-31-18-5-2-6-19(12-18)32-17-9-7-15(8-10-17)21-20(23(26)30)22(25)29(27-21)16-4-3-11-28(13-16)14-24/h2,5-10,12,16H,3-4,11,13,25H2,1H3,(H2,26,30)
InChIKeySXYNQEMBWKYHNC-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.15
Rot. Bonds6

About 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide

5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 90136278) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide
PubChem CID90136278
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide
SMILESCOc1cccc(Oc2ccc(-c3nn(C4CCCN(C#N)C4)c(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C23H24N6O3/c1-31-18-5-2-6-19(12-18)32-17-9-7-15(8-10-17)21-20(23(26)30)22(25)29(27-21)16-4-3-11-28(13-16)14-24/h2,5-10,12,16H,3-4,11,13,25H2,1H3,(H2,26,30)
InChIKeySXYNQEMBWKYHNC-UHFFFAOYSA-N
XLogP3.15
TPSA132.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)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

Zanubrutinib
CID 135565884
((plusmn))-Zanubrutinib
CID 135905454
5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
CID 74222427
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73774633
5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-[(3R)-1-cyanopiperidin-3-yl]pyrazole-4-carboxamide
CID 74222426
5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 74222510
5-amino-1-[(3R)-1-[(E)-4,4-difluorobut-2-enoyl]piperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
CID 74222512
Btk inhibitor 2
CID 75204377
US10266513, Example 130
CID 90119264
2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
2-[4-(2-Methoxyethoxy)phenyl]-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928128
2-(4-Phenoxyphenyl)-7-(1-prop-2-enoylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983688

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide (CID 90136278) is 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide is COc1cccc(Oc2ccc(-c3nn(C4CCCN(C#N)C4)c(N)c3C(N)=O)cc2)c1.
What is the InChIKey of 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is SXYNQEMBWKYHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-31-18-5-2-6-19(12-18)32-17-9-7-15(8-10-17)21-20(23(26)30)22(25)29(27-21)16-4-3-11-28(13-16)14-24/h2,5-10,12,16H,3-4,11,13,25H2,1H3,(H2,26,30).
What are the key properties of 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide?
5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-methoxyphenoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 90136278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).