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

C25H30N8 — CID 145245985

IUPAC2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESC=C(/C=c1/c(-c2cc3c(N4CCN(C)CC4)cncc3[nH]2)n[nH]/c1=C/C)c1cnc(C)n1C
InChIInChI=1S/C25H30N8/c1-6-20-19(11-16(2)23-15-27-17(3)32(23)5)25(30-29-20)21-12-18-22(28-21)13-26-14-24(18)33-9-7-31(4)8-10-33/h6,11-15,28-29H,2,7-10H2,1,3-5H3/b19-11+,20-6+
InChIKeyOJJIACARKUMTFG-GIQGKAQYSA-N
MW442.57 g/mol
LogP2.04
Rot. Bonds4

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

2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 145245985) has the molecular formula C25H30N8 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID145245985
Molecular FormulaC25H30N8
Molecular Weight442.57 g/mol
Exact Mass442.26
IUPAC Name2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESC=C(/C=c1/c(-c2cc3c(N4CCN(C)CC4)cncc3[nH]2)n[nH]/c1=C/C)c1cnc(C)n1C
InChIInChI=1S/C25H30N8/c1-6-20-19(11-16(2)23-15-27-17(3)32(23)5)25(30-29-20)21-12-18-22(28-21)13-26-14-24(18)33-9-7-31(4)8-10-33/h6,11-15,28-29H,2,7-10H2,1,3-5H3/b19-11+,20-6+
InChIKeyOJJIACARKUMTFG-GIQGKAQYSA-N
XLogP2.04
TPSA81.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145246108
5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine
CID 145246264
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137117082
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137033313
(2E,4E)-N-(cyclopentylmethyl)-2-ethenyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]hexa-2,4-dien-1-amine
CID 145246231
(2E,4E)-N-benzyl-2-ethenyl-4-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hexa-2,4-dien-1-amine
CID 145246256
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137112601
1-[C-ethenyl-N-[(Z)-1-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]carbonimidoyl]azetidin-3-amine
CID 145245898
2-[(4E,5E)-5-ethylidene-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145246079
5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine
CID 145246196
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137364650
3,3-dimethyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137033308

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine (CID 145245985) is 2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine is C=C(/C=c1/c(-c2cc3c(N4CCN(C)CC4)cncc3[nH]2)n[nH]/c1=C/C)c1cnc(C)n1C.
What is the InChIKey of 2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is OJJIACARKUMTFG-GIQGKAQYSA-N. The full InChI is InChI=1S/C25H30N8/c1-6-20-19(11-16(2)23-15-27-17(3)32(23)5)25(30-29-20)21-12-18-22(28-21)13-26-14-24(18)33-9-7-31(4)8-10-33/h6,11-15,28-29H,2,7-10H2,1,3-5H3/b19-11+,20-6+.
What are the key properties of 2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine?
2-[(4E,5E)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 442.57 g/mol, XLogP of 2.04, 4 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-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 145245985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).