1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]

C25H21ClF2N4 — CID 168944416

IUPAC1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]
SMILESFc1ccc2c(c1)CC1(CCN(c3ncc(-c4cccc(F)c4Cl)n4nccc34)CC1)C2
InChIInChI=1S/C25H21ClF2N4/c26-23-19(2-1-3-20(23)28)22-15-29-24(21-6-9-30-32(21)22)31-10-7-25(8-11-31)13-16-4-5-18(27)12-17(16)14-25/h1-6,9,12,15H,7-8,10-11,13-14H2
InChIKeyBRQYDGAGUVVIGZ-UHFFFAOYSA-N
MW450.92 g/mol
LogP5.71
Rot. Bonds2

About 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]

1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine] (PubChem CID 168944416) has the molecular formula C25H21ClF2N4 and a molecular weight of 450.92 g/mol. Its IUPAC name is 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine].

Molecular Properties

Compound Name1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]
PubChem CID168944416
Molecular FormulaC25H21ClF2N4
Molecular Weight450.92 g/mol
Exact Mass450.14
IUPAC Name1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]
SMILESFc1ccc2c(c1)CC1(CCN(c3ncc(-c4cccc(F)c4Cl)n4nccc34)CC1)C2
InChIInChI=1S/C25H21ClF2N4/c26-23-19(2-1-3-20(23)28)22-15-29-24(21-6-9-30-32(21)22)31-10-7-25(8-11-31)13-16-4-5-18(27)12-17(16)14-25/h1-6,9,12,15H,7-8,10-11,13-14H2
InChIKeyBRQYDGAGUVVIGZ-UHFFFAOYSA-N
XLogP5.71
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.92
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]?
The IUPAC name of 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine] (CID 168944416) is 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine].
What is the SMILES notation for 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]?
The canonical SMILES for 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine] is Fc1ccc2c(c1)CC1(CCN(c3ncc(-c4cccc(F)c4Cl)n4nccc34)CC1)C2.
What is the InChIKey of 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]?
The InChIKey is BRQYDGAGUVVIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N4/c26-23-19(2-1-3-20(23)28)22-15-29-24(21-6-9-30-32(21)22)31-10-7-25(8-11-31)13-16-4-5-18(27)12-17(16)14-25/h1-6,9,12,15H,7-8,10-11,13-14H2.
What are the key properties of 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]?
1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine] has a molecular weight of 450.92 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine] is sourced from PubChem (CID 168944416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).