6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C16H13N5O — CID 4994275

IUPAC6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1c[nH]c3ccccc13)C(C#N)=C(N)O2
InChIInChI=1S/C16H13N5O/c1-8-13-14(10(6-17)15(18)22-16(13)21-20-8)11-7-19-12-5-3-2-4-9(11)12/h2-5,7,14,19H,18H2,1H3,(H,20,21)
InChIKeyCNFUFPBSUICSDC-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.42
Rot. Bonds1

About 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4994275) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID4994275
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1c[nH]c3ccccc13)C(C#N)=C(N)O2
InChIInChI=1S/C16H13N5O/c1-8-13-14(10(6-17)15(18)22-16(13)21-20-8)11-7-19-12-5-3-2-4-9(11)12/h2-5,7,14,19H,18H2,1H3,(H,20,21)
InChIKeyCNFUFPBSUICSDC-UHFFFAOYSA-N
XLogP2.42
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4994275) is 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1c[nH]c3ccccc13)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is CNFUFPBSUICSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-8-13-14(10(6-17)15(18)22-16(13)21-20-8)11-7-19-12-5-3-2-4-9(11)12/h2-5,7,14,19H,18H2,1H3,(H,20,21).
What are the key properties of 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 291.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4994275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).