5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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

C37H41FN8 — CID 145033869

IUPAC5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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
SMILESC=C(CCC)Nc1cncc(C(=C)/C=c2/c(-c3nc4c(-c5cc(F)cc(CCCN6CCCC6)c5)nccc4[nH]3)n[nH]/c2=C/C)c1
InChIInChI=1S/C37H41FN8/c1-5-10-25(4)41-30-21-28(22-39-23-30)24(3)17-31-32(6-2)44-45-35(31)37-42-33-12-13-40-34(36(33)43-37)27-18-26(19-29(38)20-27)11-9-16-46-14-7-8-15-46/h6,12-13,17-23,41,44H,3-5,7-11,14-16H2,1-2H3,(H,42,43)/b31-17+,32-6+
InChIKeyFEYRAFSRMZIUEX-LZZWWDACSA-N
MW616.79 g/mol
LogP6.60
Rot. Bonds12

About 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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

5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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 (PubChem CID 145033869) has the molecular formula C37H41FN8 and a molecular weight of 616.79 g/mol. Its IUPAC name is 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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.

Molecular Properties

Compound Name5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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
PubChem CID145033869
Molecular FormulaC37H41FN8
Molecular Weight616.79 g/mol
Exact Mass616.34
IUPAC Name5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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
SMILESC=C(CCC)Nc1cncc(C(=C)/C=c2/c(-c3nc4c(-c5cc(F)cc(CCCN6CCCC6)c5)nccc4[nH]3)n[nH]/c2=C/C)c1
InChIInChI=1S/C37H41FN8/c1-5-10-25(4)41-30-21-28(22-39-23-30)24(3)17-31-32(6-2)44-45-35(31)37-42-33-12-13-40-34(36(33)43-37)27-18-26(19-29(38)20-27)11-9-16-46-14-7-8-15-46/h6,12-13,17-23,41,44H,3-5,7-11,14-16H2,1-2H3,(H,42,43)/b31-17+,32-6+
InChIKeyFEYRAFSRMZIUEX-LZZWWDACSA-N
XLogP6.60
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.79
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4E,5E)-5-ethylidene-4-[2-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridine
CID 145247490
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-(4,4-dimethylpent-1-en-2-yl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145034161
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-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-[[[methyl(dimethylidene)-λ6-sulfanyl]amino]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145032835
N-[5-[(E,3E)-1-amino-3-[(5Z)-5-ethylidene-3-[4-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]butanamide
CID 145039067
N-but-1-en-2-yl-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145247716
5-[(3E)-3-[(5E)-5-ethylidene-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145032854
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
2-[(4E,5E)-5-ethylidene-4-[2-(1H-pyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 145246944
N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145034123
5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine
CID 145037593

Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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?
The IUPAC name of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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 145033869) is 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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.
What is the SMILES notation for 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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?
The canonical SMILES for 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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 is C=C(CCC)Nc1cncc(C(=C)/C=c2/c(-c3nc4c(-c5cc(F)cc(CCCN6CCCC6)c5)nccc4[nH]3)n[nH]/c2=C/C)c1.
What is the InChIKey of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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?
The InChIKey is FEYRAFSRMZIUEX-LZZWWDACSA-N. The full InChI is InChI=1S/C37H41FN8/c1-5-10-25(4)41-30-21-28(22-39-23-30)24(3)17-31-32(6-2)44-45-35(31)37-42-33-12-13-40-34(36(33)43-37)27-18-26(19-29(38)20-27)11-9-16-46-14-7-8-15-46/h6,12-13,17-23,41,44H,3-5,7-11,14-16H2,1-2H3,(H,42,43)/b31-17+,32-6+.
What are the key properties of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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?
5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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 has a molecular weight of 616.79 g/mol, XLogP of 6.60, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-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 is sourced from PubChem (CID 145033869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).