6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C16H17N5O — CID 660117

IUPAC6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCCCc1nn(C)c2c1C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H17N5O/c1-3-4-12-14-13(10-5-7-19-8-6-10)11(9-17)15(18)22-16(14)21(2)20-12/h5-8,13H,3-4,18H2,1-2H3
InChIKeyXKZYLKCRRDMRMP-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.99
Rot. Bonds3

About 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 660117) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID660117
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCCCc1nn(C)c2c1C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H17N5O/c1-3-4-12-14-13(10-5-7-19-8-6-10)11(9-17)15(18)22-16(14)21(2)20-12/h5-8,13H,3-4,18H2,1-2H3
InChIKeyXKZYLKCRRDMRMP-UHFFFAOYSA-N
XLogP1.99
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 660117) is 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is CCCc1nn(C)c2c1C(c1ccncc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is XKZYLKCRRDMRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-4-12-14-13(10-5-7-19-8-6-10)11(9-17)15(18)22-16(14)21(2)20-12/h5-8,13H,3-4,18H2,1-2H3.
What are the key properties of 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-3-propyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 660117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).