N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine

C31H36FN7 — CID 145037754

IUPACN-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine
SMILESC=C(/C(F)=c1/c(C(=C)Nc2cncc(N3CCCCC3)c2C)n[nH]/c1=C/C)c1cncc(NC(=C)C2CC2)c1
InChIInChI=1S/C31H36FN7/c1-6-26-29(30(32)19(2)24-14-25(16-33-15-24)35-21(4)23-10-11-23)31(38-37-26)22(5)36-27-17-34-18-28(20(27)3)39-12-8-7-9-13-39/h6,14-18,23,35-37H,2,4-5,7-13H2,1,3H3/b26-6+,30-29-
InChIKeyAXRYIYGXGAVQGM-RWJGNLSTSA-N
MW525.68 g/mol
LogP5.51
Rot. Bonds9

About N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine

N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine (PubChem CID 145037754) has the molecular formula C31H36FN7 and a molecular weight of 525.68 g/mol. Its IUPAC name is N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine
PubChem CID145037754
Molecular FormulaC31H36FN7
Molecular Weight525.68 g/mol
Exact Mass525.30
IUPAC NameN-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine
SMILESC=C(/C(F)=c1/c(C(=C)Nc2cncc(N3CCCCC3)c2C)n[nH]/c1=C/C)c1cncc(NC(=C)C2CC2)c1
InChIInChI=1S/C31H36FN7/c1-6-26-29(30(32)19(2)24-14-25(16-33-15-24)35-21(4)23-10-11-23)31(38-37-26)22(5)36-27-17-34-18-28(20(27)3)39-12-8-7-9-13-39/h6,14-18,23,35-37H,2,4-5,7-13H2,1,3H3/b26-6+,30-29-
InChIKeyAXRYIYGXGAVQGM-RWJGNLSTSA-N
XLogP5.51
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.68
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine 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

N-[1-[(4Z,5E)-4-[2-[5-(1-cyclobutylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-3-methyl-2-(5-methylthiophen-2-yl)pyridin-4-amine
CID 145033735
5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145246108
5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine
CID 145246264
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145037623
N-(1-cyclopropylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 137103204
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145034112
N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine
CID 145033238
5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
CID 145035246
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145033208
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine;ethane
CID 145246362
N-[1-[(5E)-5-[(E)-3-[5-(3-cyclohexylprop-1-en-2-ylamino)-3-pyridinyl]but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]ethenyl]-3-methyl-2-(4-methylimidazol-1-yl)pyridin-4-amine
CID 145245125
N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene
CID 142333570

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine?
The IUPAC name of N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine (CID 145037754) is N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine is C=C(/C(F)=c1/c(C(=C)Nc2cncc(N3CCCCC3)c2C)n[nH]/c1=C/C)c1cncc(NC(=C)C2CC2)c1.
What is the InChIKey of N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine?
The InChIKey is AXRYIYGXGAVQGM-RWJGNLSTSA-N. The full InChI is InChI=1S/C31H36FN7/c1-6-26-29(30(32)19(2)24-14-25(16-33-15-24)35-21(4)23-10-11-23)31(38-37-26)22(5)36-27-17-34-18-28(20(27)3)39-12-8-7-9-13-39/h6,14-18,23,35-37H,2,4-5,7-13H2,1,3H3/b26-6+,30-29-.
What are the key properties of N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine?
N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine has a molecular weight of 525.68 g/mol, XLogP of 5.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4Z,5E)-4-[2-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-4-methyl-5-piperidin-1-ylpyridin-3-amine is sourced from PubChem (CID 145037754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).