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

C32H33FN6S — CID 145033735

IUPACN-[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
SMILESC=C(/C(F)=c1/c(C(=C)Nc2ccnc(-c3ccc(C)s3)c2C)n[nH]/c1=C/C)c1cncc(NC(=C)C2CCC2)c1
InChIInChI=1S/C32H33FN6S/c1-7-26-29(30(33)19(3)24-15-25(17-34-16-24)36-21(5)23-9-8-10-23)32(39-38-26)22(6)37-27-13-14-35-31(20(27)4)28-12-11-18(2)40-28/h7,11-17,23,36,38H,3,5-6,8-10H2,1-2,4H3,(H,35,37)/b26-7+,30-29-
InChIKeyJVUAAFLCQICJEJ-PMANTRMASA-N
MW552.72 g/mol
LogP6.95
Rot. Bonds9

About 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

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 (PubChem CID 145033735) has the molecular formula C32H33FN6S and a molecular weight of 552.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID145033735
Molecular FormulaC32H33FN6S
Molecular Weight552.72 g/mol
Exact Mass552.25
IUPAC NameN-[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
SMILESC=C(/C(F)=c1/c(C(=C)Nc2ccnc(-c3ccc(C)s3)c2C)n[nH]/c1=C/C)c1cncc(NC(=C)C2CCC2)c1
InChIInChI=1S/C32H33FN6S/c1-7-26-29(30(33)19(3)24-15-25(17-34-16-24)36-21(5)23-9-8-10-23)32(39-38-26)22(6)37-27-13-14-35-31(20(27)4)28-12-11-18(2)40-28/h7,11-17,23,36,38H,3,5-6,8-10H2,1-2,4H3,(H,35,37)/b26-7+,30-29-
InChIKeyJVUAAFLCQICJEJ-PMANTRMASA-N
XLogP6.95
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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-cyclobutylethenyl)-5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridin-3-amine
CID 145244741
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
N-but-1-en-2-yl-5-[(3Z)-3-[(5E)-5-ethylidene-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine
CID 145033375
N-but-1-en-2-yl-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145246512
N-(4,4-dimethylpent-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine
CID 145033443
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-[(5E)-5-[(E)-3-[5-(cyclohexylmethyl)-3-pyridinyl]but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]ethenyl]-3-methyl-2-pyridin-3-ylpyridin-4-amine
CID 126564647
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(/C(F)=c1/c(C(=C)Nc2ccnc(-c3ccc(C)s3)c2C)n[nH]/c1=C/C)c1cncc(NC(=C)C2CCC2)c1.
What is the InChIKey of 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?
The InChIKey is JVUAAFLCQICJEJ-PMANTRMASA-N. The full InChI is InChI=1S/C32H33FN6S/c1-7-26-29(30(33)19(3)24-15-25(17-34-16-24)36-21(5)23-9-8-10-23)32(39-38-26)22(6)37-27-13-14-35-31(20(27)4)28-12-11-18(2)40-28/h7,11-17,23,36,38H,3,5-6,8-10H2,1-2,4H3,(H,35,37)/b26-7+,30-29-.
What are the key properties of 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?
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 has a molecular weight of 552.72 g/mol, XLogP of 6.95, 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-cyclobutylethenylamino)-3-pyridinyl]-1-fluoroprop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]ethenyl]-3-methyl-2-(5-methylthiophen-2-yl)pyridin-4-amine is sourced from PubChem (CID 145033735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).