6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C15H15N5O — CID 664299

IUPAC6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2
InChIInChI=1S/C15H15N5O/c1-8(2)13-12-11(9-4-3-5-18-7-9)10(6-16)14(17)21-15(12)20-19-13/h3-5,7-8,11H,17H2,1-2H3,(H,19,20)
InChIKeyYMOULBFPSBIUPB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.15
Rot. Bonds2

About 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 664299) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID664299
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2
InChIInChI=1S/C15H15N5O/c1-8(2)13-12-11(9-4-3-5-18-7-9)10(6-16)14(17)21-15(12)20-19-13/h3-5,7-8,11H,17H2,1-2H3,(H,19,20)
InChIKeyYMOULBFPSBIUPB-UHFFFAOYSA-N
XLogP2.15
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 664299) is 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is YMOULBFPSBIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-8(2)13-12-11(9-4-3-5-18-7-9)10(6-16)14(17)21-15(12)20-19-13/h3-5,7-8,11H,17H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-propan-2-yl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 664299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).