2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine

C25H30N6 — CID 145254358

IUPAC2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine
SMILESC=c1c(-c2cc3c(N4CCCCC4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)C1=CCNCC1
InChIInChI=1S/C25H30N6/c1-17(19-8-10-26-11-9-19)6-7-21-18(2)25(30-29-21)22-14-20-23(28-22)15-27-16-24(20)31-12-4-3-5-13-31/h6-8,14-16,26,28-29H,2-5,9-13H2,1H3/b17-6+,21-7+
InChIKeyPAUPBAHABZVLDO-BSKOXECTSA-N
MW414.56 g/mol
LogP3.00
Rot. Bonds4

About 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine

2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 145254358) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID145254358
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine
SMILESC=c1c(-c2cc3c(N4CCCCC4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)C1=CCNCC1
InChIInChI=1S/C25H30N6/c1-17(19-8-10-26-11-9-19)6-7-21-18(2)25(30-29-21)22-14-20-23(28-22)15-27-16-24(20)31-12-4-3-5-13-31/h6-8,14-16,26,28-29H,2-5,9-13H2,1H3/b17-6+,21-7+
InChIKeyPAUPBAHABZVLDO-BSKOXECTSA-N
XLogP3.00
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine
CID 145254468
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-(5-methoxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033318
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
N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252560
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137087962
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
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137311576
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137117082
5-[(E,4E)-4-[4-methylidene-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]but-2-en-2-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine
CID 145254456
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine (CID 145254358) is 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine is C=c1c(-c2cc3c(N4CCCCC4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)C1=CCNCC1.
What is the InChIKey of 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is PAUPBAHABZVLDO-BSKOXECTSA-N. The full InChI is InChI=1S/C25H30N6/c1-17(19-8-10-26-11-9-19)6-7-21-18(2)25(30-29-21)22-14-20-23(28-22)15-27-16-24(20)31-12-4-3-5-13-31/h6-8,14-16,26,28-29H,2-5,9-13H2,1H3/b17-6+,21-7+.
What are the key properties of 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine?
2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 414.56 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 145254358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).