2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine

C24H27N7 — CID 145247647

IUPAC2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine
SMILESC=C(/C=c1/c(-c2cc3c(N4CCCCC4)nccc3[nH]2)n[nH]/c1=C/C)c1cnn(C)c1
InChIInChI=1S/C24H27N7/c1-4-20-18(12-16(2)17-14-26-30(3)15-17)23(29-28-20)22-13-19-21(27-22)8-9-25-24(19)31-10-6-5-7-11-31/h4,8-9,12-15,27-28H,2,5-7,10-11H2,1,3H3/b18-12+,20-4+
InChIKeySDPVXIJNXULSHS-OFQVIERZSA-N
MW413.53 g/mol
LogP2.97
Rot. Bonds4

About 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine

2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 145247647) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine
PubChem CID145247647
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine
SMILESC=C(/C=c1/c(-c2cc3c(N4CCCCC4)nccc3[nH]2)n[nH]/c1=C/C)c1cnn(C)c1
InChIInChI=1S/C24H27N7/c1-4-20-18(12-16(2)17-14-26-30(3)15-17)23(29-28-20)22-13-19-21(27-22)8-9-25-24(19)31-10-6-5-7-11-31/h4,8-9,12-15,27-28H,2,5-7,10-11H2,1,3H3/b18-12+,20-4+
InChIKeySDPVXIJNXULSHS-OFQVIERZSA-N
XLogP2.97
TPSA78.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1Z)-1-[5-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-2-methyl-1H-pyrrol-3-yl]buta-1,3-dienyl]pyridine
CID 145246653
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137313037
2-[(4E,5E)-5-ethylidene-4-(2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137033955
ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine
CID 145247569
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-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137103136
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
3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137312708
5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034121
1-[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]-3-pyridinyl]-N,N-dimethylmethanamine
CID 145247739
ethane;(4E,5E)-5-ethylidene-3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazole
CID 145246376
2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 145247705

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine (CID 145247647) is 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine is C=C(/C=c1/c(-c2cc3c(N4CCCCC4)nccc3[nH]2)n[nH]/c1=C/C)c1cnn(C)c1.
What is the InChIKey of 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is SDPVXIJNXULSHS-OFQVIERZSA-N. The full InChI is InChI=1S/C24H27N7/c1-4-20-18(12-16(2)17-14-26-30(3)15-17)23(29-28-20)22-13-19-21(27-22)8-9-25-24(19)31-10-6-5-7-11-31/h4,8-9,12-15,27-28H,2,5-7,10-11H2,1,3H3/b18-12+,20-4+.
What are the key properties of 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine?
2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 413.53 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 145247647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).