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

C14H13N5O — CID 653607

IUPAC6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C14H13N5O/c1-2-10-12-11(8-3-5-17-6-4-8)9(7-15)13(16)20-14(12)19-18-10/h3-6,11H,2,16H2,1H3,(H,18,19)
InChIKeySRMICTKQFGJSHB-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.59
Rot. Bonds2

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

6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 653607) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID653607
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C14H13N5O/c1-2-10-12-11(8-3-5-17-6-4-8)9(7-15)13(16)20-14(12)19-18-10/h3-6,11H,2,16H2,1H3,(H,18,19)
InChIKeySRMICTKQFGJSHB-UHFFFAOYSA-N
XLogP1.59
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 653607) is 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is SRMICTKQFGJSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-10-12-11(8-3-5-17-6-4-8)9(7-15)13(16)20-14(12)19-18-10/h3-6,11H,2,16H2,1H3,(H,18,19).
What are the key properties of 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 653607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).