6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

C20H16FN5O2 — CID 53460356

IUPAC6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESN#CC1=C(N)OC2NNC(c3ccc(F)cc3)C2C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H16FN5O2/c21-11-7-5-10(6-8-11)16-15-18(26-25-16)28-17(23)13(9-22)20(15)12-3-1-2-4-14(12)24-19(20)27/h1-8,15-16,18,25-26H,23H2,(H,24,27)
InChIKeyWNKHSQDEFUAAFV-UHFFFAOYSA-N
MW377.38 g/mol
LogP1.53
Rot. Bonds1

About 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (PubChem CID 53460356) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
PubChem CID53460356
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESN#CC1=C(N)OC2NNC(c3ccc(F)cc3)C2C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H16FN5O2/c21-11-7-5-10(6-8-11)16-15-18(26-25-16)28-17(23)13(9-22)20(15)12-3-1-2-4-14(12)24-19(20)27/h1-8,15-16,18,25-26H,23H2,(H,24,27)
InChIKeyWNKHSQDEFUAAFV-UHFFFAOYSA-N
XLogP1.53
TPSA112.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The IUPAC name of 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CID 53460356) is 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.
What is the SMILES notation for 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The canonical SMILES for 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is N#CC1=C(N)OC2NNC(c3ccc(F)cc3)C2C12C(=O)Nc1ccccc12.
What is the InChIKey of 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The InChIKey is WNKHSQDEFUAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-11-7-5-10(6-8-11)16-15-18(26-25-16)28-17(23)13(9-22)20(15)12-3-1-2-4-14(12)24-19(20)27/h1-8,15-16,18,25-26H,23H2,(H,24,27).
What are the key properties of 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile has a molecular weight of 377.38 g/mol, XLogP of 1.53, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-amino-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 53460356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).