6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

C20H13N5O2 — CID 646066

IUPAC6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H13N5O2/c21-10-13-17(22)27-18-15(16(24-25-18)11-6-2-1-3-7-11)20(13)12-8-4-5-9-14(12)23-19(20)26/h1-9H,22H2,(H,23,26)(H,24,25)
InChIKeyFCBAZMGDHRJAGU-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.40
Rot. Bonds1

About 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (PubChem CID 646066) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
PubChem CID646066
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H13N5O2/c21-10-13-17(22)27-18-15(16(24-25-18)11-6-2-1-3-7-11)20(13)12-8-4-5-9-14(12)23-19(20)26/h1-9H,22H2,(H,23,26)(H,24,25)
InChIKeyFCBAZMGDHRJAGU-UHFFFAOYSA-N
XLogP2.40
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The IUPAC name of 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CID 646066) is 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.
What is the SMILES notation for 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The canonical SMILES for 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C12C(=O)Nc1ccccc12.
What is the InChIKey of 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The InChIKey is FCBAZMGDHRJAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c21-10-13-17(22)27-18-15(16(24-25-18)11-6-2-1-3-7-11)20(13)12-8-4-5-9-14(12)23-19(20)26/h1-9H,22H2,(H,23,26)(H,24,25).
What are the key properties of 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile has a molecular weight of 355.36 g/mol, XLogP of 2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 646066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).