[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone

C23H21F2N5O — CID 157261738

IUPAC[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
SMILESCc1ccc2nn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)cc2n1
InChIInChI=1S/C23H21F2N5O/c1-14-2-3-18-19(27-14)9-29(28-18)13-22-10-23(11-22,12-22)21(31)30-20(4-5-26-30)15-6-16(24)8-17(25)7-15/h2-3,5-9,20H,4,10-13H2,1H3
InChIKeyMPYKZZGQWOFLJN-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.15
Rot. Bonds4

About [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone

[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone (PubChem CID 157261738) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
PubChem CID157261738
Molecular FormulaC23H21F2N5O
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC Name[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
SMILESCc1ccc2nn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)cc2n1
InChIInChI=1S/C23H21F2N5O/c1-14-2-3-18-19(27-14)9-29(28-18)13-22-10-23(11-22,12-22)21(31)30-20(4-5-26-30)15-6-16(24)8-17(25)7-15/h2-3,5-9,20H,4,10-13H2,1H3
InChIKeyMPYKZZGQWOFLJN-UHFFFAOYSA-N
XLogP4.15
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The IUPAC name of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone (CID 157261738) is [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone is Cc1ccc2nn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)cc2n1.
What is the InChIKey of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The InChIKey is MPYKZZGQWOFLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O/c1-14-2-3-18-19(27-14)9-29(28-18)13-22-10-23(11-22,12-22)21(31)30-20(4-5-26-30)15-6-16(24)8-17(25)7-15/h2-3,5-9,20H,4,10-13H2,1H3.
What are the key properties of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone has a molecular weight of 421.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,3-b]pyridin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone is sourced from PubChem (CID 157261738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).