2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine

C28H25F2N7S — CID 145037449

IUPAC2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
SMILESC=C(/C=c1/c(-c2nc3c(-c4cccs4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(CN2CCC(F)(F)C2)c1
InChIInChI=1S/C28H25F2N7S/c1-3-22-20(9-17(2)19-10-18(11-31-12-19)15-37-7-6-28(29,30)16-37)26(36-35-22)27-33-23-14-32-13-21(25(23)34-27)24-5-4-8-38-24/h3-5,8-14,35H,2,6-7,15-16H2,1H3,(H,33,34)/b20-9+,22-3+
InChIKeyVYJYTHBHXCQIQE-TWDMYHCGSA-N
MW529.62 g/mol
LogP4.61
Rot. Bonds6

About 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine

2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 145037449) has the molecular formula C28H25F2N7S and a molecular weight of 529.62 g/mol. Its IUPAC name is 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
PubChem CID145037449
Molecular FormulaC28H25F2N7S
Molecular Weight529.62 g/mol
Exact Mass529.19
IUPAC Name2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
SMILESC=C(/C=c1/c(-c2nc3c(-c4cccs4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(CN2CCC(F)(F)C2)c1
InChIInChI=1S/C28H25F2N7S/c1-3-22-20(9-17(2)19-10-18(11-31-12-19)15-37-7-6-28(29,30)16-37)26(36-35-22)27-33-23-14-32-13-21(25(23)34-27)24-5-4-8-38-24/h3-5,8-14,35H,2,6-7,15-16H2,1H3,(H,33,34)/b20-9+,22-3+
InChIKeyVYJYTHBHXCQIQE-TWDMYHCGSA-N
XLogP4.61
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

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
3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137311889
2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 137110248
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137311624
N-[[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137102925
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 136946451
1-[5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 145034172
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137112374
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
2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137311602
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039120
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 137312361

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine (CID 145037449) is 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine is C=C(/C=c1/c(-c2nc3c(-c4cccs4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(CN2CCC(F)(F)C2)c1.
What is the InChIKey of 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is VYJYTHBHXCQIQE-TWDMYHCGSA-N. The full InChI is InChI=1S/C28H25F2N7S/c1-3-22-20(9-17(2)19-10-18(11-31-12-19)15-37-7-6-28(29,30)16-37)26(36-35-22)27-33-23-14-32-13-21(25(23)34-27)24-5-4-8-38-24/h3-5,8-14,35H,2,6-7,15-16H2,1H3,(H,33,34)/b20-9+,22-3+.
What are the key properties of 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine?
2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 529.62 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,5E)-4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145037449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).