6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H37N7O2 — CID 166807080

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166807080) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 166807080
• Molecular Formula: C30H37N7O2
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.30
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=N/C(=C\C=C(/C)[C@H](C)N(C)c1ccc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1)N1CCCC1
• InChI: InChI=1S/C30H37N7O2/c1-21(9-11-27(32-5)36-13-7-8-14-36)22(2)35(6)28-12-10-23(17-33-28)26-15-25(39-20-30(3,4)38)19-37-29(26)24(16-31)18-34-37/h9-12,15,17-19,22,38H,5,7-8,13-14,20H2,1-4,6H3/b21-9+,27-11+/t22-/m0/s1
• InChIKey: FQFJIPRUVBZXSE-COERDJMNSA-N
• XLogP: 4.83
• TPSA: 102.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166807080) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=N/C(=C\C=C(/C)[C@H](C)N(C)c1ccc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1)N1CCCC1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is FQFJIPRUVBZXSE-COERDJMNSA-N. The full InChI is InChI=1S/C30H37N7O2/c1-21(9-11-27(32-5)36-13-7-8-14-36)22(2)35(6)28-12-10-23(17-33-28)26-15-25(39-20-30(3,4)38)19-37-29(26)24(16-31)18-34-37/h9-12,15,17-19,22,38H,5,7-8,13-14,20H2,1-4,6H3/b21-9+,27-11+/t22-/m0/s1.

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 527.67 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[methyl-[(2S,3E,5Z)-3-methyl-6-(methylideneamino)-6-pyrrolidin-1-ylhexa-3,5-dien-2-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166807080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).