6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

About 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 139313735) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name	6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID	139313735
Molecular Formula	C30H37N7O
Molecular Weight	511.67 g/mol
Exact Mass	511.31
IUPAC Name	6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES	C=N/C(=C\C=C(/C)c1cc(OCC(CC)CC)cn2ncc(C#N)c12)N1CCN(Cc2ccccn2)CC1
InChI	InChI=1S/C30H37N7O/c1-5-24(6-2)22-38-27-17-28(30-25(18-31)19-34-37(30)21-27)23(3)10-11-29(32-4)36-15-13-35(14-16-36)20-26-9-7-8-12-33-26/h7-12,17,19,21,24H,4-6,13-16,20,22H2,1-3H3/b23-10+,29-11+
InChIKey	SBIVERONDMGJJK-HXASISIPSA-N
XLogP	5.18
TPSA	82.05 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 139313735) is 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=N/C(=C\C=C(/C)c1cc(OCC(CC)CC)cn2ncc(C#N)c12)N1CCN(Cc2ccccn2)CC1.

What is the InChIKey of 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is SBIVERONDMGJJK-HXASISIPSA-N. The full InChI is InChI=1S/C30H37N7O/c1-5-24(6-2)22-38-27-17-28(30-25(18-31)19-34-37(30)21-27)23(3)10-11-29(32-4)36-15-13-35(14-16-36)20-26-9-7-8-12-33-26/h7-12,17,19,21,24H,4-6,13-16,20,22H2,1-3H3/b23-10+,29-11+.

What are the key properties of 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 511.67 g/mol, XLogP of 5.18, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-ethylbutoxy)-4-[(2E,4Z)-5-(methylideneamino)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 139313735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).