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

IUPAC6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC/N=C/C(=CN)c1cc(-c2ccc(N(C)CCNC)nc2)c2c(C#N)cnn2c1
InChIInChI=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+
InChIKeyISANWGWWAOKIAD-LXTMFUQCSA-N
MW388.48 g/mol
LogP1.92
Rot. Bonds7

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 Name6-(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 CID174075746
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC/N=C/C(=CN)c1cc(-c2ccc(N(C)CCNC)nc2)c2c(C#N)cnn2c1
InChIInChI=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+
InChIKeyISANWGWWAOKIAD-LXTMFUQCSA-N
XLogP1.92
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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).