6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H24N8 — CID 174075746

About 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 174075746) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 174075746
• Molecular Formula: C21H24N8
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.21
• IUPAC Name: 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C/N=C/C(=CN)c1cc(-c2ccc(N(C)CCNC)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C21H24N8/c1-24-6-7-28(3)20-5-4-15(12-26-20)19-8-16(17(9-22)11-25-2)14-29-21(19)18(10-23)13-27-29/h4-5,8-9,11-14,24H,6-7,22H2,1-3H3/b17-9?,25-11+
• InChIKey: ISANWGWWAOKIAD-LXTMFUQCSA-N
• XLogP: 1.92
• TPSA: 107.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 174075746) is 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C/N=C/C(=CN)c1cc(-c2ccc(N(C)CCNC)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ISANWGWWAOKIAD-LXTMFUQCSA-N. The full InChI is InChI=1S/C21H24N8/c1-24-6-7-28(3)20-5-4-15(12-26-20)19-8-16(17(9-22)11-25-2)14-29-21(19)18(10-23)13-27-29/h4-5,8-9,11-14,24H,6-7,22H2,1-3H3/b17-9?,25-11+.

What are the key properties of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 388.48 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 174075746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).