6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C17H13N5O — CID 3790961

IUPAC6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2
InChIInChI=1S/C17H13N5O/c1-9-14-15(12(8-18)16(19)23-17(14)22-21-9)11-6-7-20-13-5-3-2-4-10(11)13/h2-7,15H,19H2,1H3,(H,21,22)
InChIKeyXFZUOILNZMYKDY-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.48
Rot. Bonds1

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

6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3790961) has the molecular formula C17H13N5O and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3790961
Molecular FormulaC17H13N5O
Molecular Weight303.32 g/mol
Exact Mass303.11
IUPAC Name6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2
InChIInChI=1S/C17H13N5O/c1-9-14-15(12(8-18)16(19)23-17(14)22-21-9)11-6-7-20-13-5-3-2-4-10(11)13/h2-7,15H,19H2,1H3,(H,21,22)
InChIKeyXFZUOILNZMYKDY-UHFFFAOYSA-N
XLogP2.48
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3790961) is 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is XFZUOILNZMYKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-9-14-15(12(8-18)16(19)23-17(14)22-21-9)11-6-7-20-13-5-3-2-4-10(11)13/h2-7,15H,19H2,1H3,(H,21,22).
What are the key properties of 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 303.32 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3790961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).