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

C31H36N8 — CID 145244741

IUPACN-(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
SMILESC=C(Nc1cncc(/C(C)=C/C=c2/[nH]nc(-c3nc4c(N5CCCCC5)nccc4[nH]3)/c2=C\C)c1)C1CCC1
InChIInChI=1S/C31H36N8/c1-4-25-26(12-11-20(2)23-17-24(19-32-18-23)34-21(3)22-9-8-10-22)37-38-28(25)30-35-27-13-14-33-31(29(27)36-30)39-15-6-5-7-16-39/h4,11-14,17-19,22,34,37H,3,5-10,15-16H2,1-2H3,(H,35,36)/b20-11+,25-4-,26-12+
InChIKeyLMHNAXXVJXFWCC-MIPUJGRKSA-N
MW520.69 g/mol
LogP5.14
Rot. Bonds7

About 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

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 (PubChem CID 145244741) has the molecular formula C31H36N8 and a molecular weight of 520.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID145244741
Molecular FormulaC31H36N8
Molecular Weight520.69 g/mol
Exact Mass520.31
IUPAC NameN-(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
SMILESC=C(Nc1cncc(/C(C)=C/C=c2/[nH]nc(-c3nc4c(N5CCCCC5)nccc4[nH]3)/c2=C\C)c1)C1CCC1
InChIInChI=1S/C31H36N8/c1-4-25-26(12-11-20(2)23-17-24(19-32-18-23)34-21(3)22-9-8-10-22)37-38-28(25)30-35-27-13-14-33-31(29(27)36-30)39-15-6-5-7-16-39/h4,11-14,17-19,22,34,37H,3,5-10,15-16H2,1-2H3,(H,35,36)/b20-11+,25-4-,26-12+
InChIKeyLMHNAXXVJXFWCC-MIPUJGRKSA-N
XLogP5.14
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.69
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-(1-cyclopentylethenyl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088566
2-[(5E)-4-methylidene-5-[(E)-3-(1-methylpyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 145244894
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
5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145033979
N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137039480
N-(1-cyclopentylethenyl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145247745
N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145244782
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-cyclobutylethenyl)-5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145308121
N-(1-cyclohexylethenyl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145249769
2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
CID 145033285

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(Nc1cncc(/C(C)=C/C=c2/[nH]nc(-c3nc4c(N5CCCCC5)nccc4[nH]3)/c2=C\C)c1)C1CCC1.
What is the InChIKey of 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?
The InChIKey is LMHNAXXVJXFWCC-MIPUJGRKSA-N. The full InChI is InChI=1S/C31H36N8/c1-4-25-26(12-11-20(2)23-17-24(19-32-18-23)34-21(3)22-9-8-10-22)37-38-28(25)30-35-27-13-14-33-31(29(27)36-30)39-15-6-5-7-16-39/h4,11-14,17-19,22,34,37H,3,5-10,15-16H2,1-2H3,(H,35,36)/b20-11+,25-4-,26-12+.
What are the key properties of 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?
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 has a molecular weight of 520.69 g/mol, XLogP of 5.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145244741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).