2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile

C19H17N7 — CID 51119677

IUPAC2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc2nc(NCCNc3ncccc3C#N)c3ccccc3n2n1
InChIInChI=1S/C19H17N7/c1-13-11-17-24-19(15-6-2-3-7-16(15)26(17)25-13)23-10-9-22-18-14(12-20)5-4-8-21-18/h2-8,11H,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyFEHMTGKANBHYGS-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.98
Rot. Bonds5

About 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile

2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 51119677) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile
PubChem CID51119677
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc2nc(NCCNc3ncccc3C#N)c3ccccc3n2n1
InChIInChI=1S/C19H17N7/c1-13-11-17-24-19(15-6-2-3-7-16(15)26(17)25-13)23-10-9-22-18-14(12-20)5-4-8-21-18/h2-8,11H,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyFEHMTGKANBHYGS-UHFFFAOYSA-N
XLogP2.98
TPSA90.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile (CID 51119677) is 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile is Cc1cc2nc(NCCNc3ncccc3C#N)c3ccccc3n2n1.
What is the InChIKey of 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is FEHMTGKANBHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-13-11-17-24-19(15-6-2-3-7-16(15)26(17)25-13)23-10-9-22-18-14(12-20)5-4-8-21-18/h2-8,11H,9-10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile?
2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 51119677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).