5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine

C30H32N8 — CID 145246794

IUPAC5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine
SMILESC=C(CCCC)Nc1cncc(C(=C)/C=c2/c(-c3cc4c(-n5cnc(C)c5)ccnc4[nH]3)n[nH]/c2=C/C)c1
InChIInChI=1S/C30H32N8/c1-6-8-9-20(4)34-23-13-22(15-31-16-23)19(3)12-24-26(7-2)36-37-29(24)27-14-25-28(10-11-32-30(25)35-27)38-17-21(5)33-18-38/h7,10-18,34,36H,3-4,6,8-9H2,1-2,5H3,(H,32,35)/b24-12+,26-7+
InChIKeyVOZVDZKZUAMUEV-MVGPWHDQSA-N
MW504.64 g/mol
LogP5.25
Rot. Bonds9

About 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine

5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine (PubChem CID 145246794) has the molecular formula C30H32N8 and a molecular weight of 504.64 g/mol. Its IUPAC name is 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine
PubChem CID145246794
Molecular FormulaC30H32N8
Molecular Weight504.64 g/mol
Exact Mass504.27
IUPAC Name5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine
SMILESC=C(CCCC)Nc1cncc(C(=C)/C=c2/c(-c3cc4c(-n5cnc(C)c5)ccnc4[nH]3)n[nH]/c2=C/C)c1
InChIInChI=1S/C30H32N8/c1-6-8-9-20(4)34-23-13-22(15-31-16-23)19(3)12-24-26(7-2)36-37-29(24)27-14-25-28(10-11-32-30(25)35-27)38-17-21(5)33-18-38/h7,10-18,34,36H,3-4,6,8-9H2,1-2,5H3,(H,32,35)/b24-12+,26-7+
InChIKeyVOZVDZKZUAMUEV-MVGPWHDQSA-N
XLogP5.25
TPSA100.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

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-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137111598
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-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine
CID 145246296
N-(4,4-dimethylpent-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145246830
5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine
CID 145247736
N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145246963
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
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
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
N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145248773
N-(1-cyclobutylethenyl)-5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145251832

Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine?
The IUPAC name of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine (CID 145246794) is 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine?
The canonical SMILES for 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine is C=C(CCCC)Nc1cncc(C(=C)/C=c2/c(-c3cc4c(-n5cnc(C)c5)ccnc4[nH]3)n[nH]/c2=C/C)c1.
What is the InChIKey of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine?
The InChIKey is VOZVDZKZUAMUEV-MVGPWHDQSA-N. The full InChI is InChI=1S/C30H32N8/c1-6-8-9-20(4)34-23-13-22(15-31-16-23)19(3)12-24-26(7-2)36-37-29(24)27-14-25-28(10-11-32-30(25)35-27)38-17-21(5)33-18-38/h7,10-18,34,36H,3-4,6,8-9H2,1-2,5H3,(H,32,35)/b24-12+,26-7+.
What are the key properties of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine?
5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine has a molecular weight of 504.64 g/mol, XLogP of 5.25, 9 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-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 145246794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).