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

C24H22F2N4O — CID 158507310

IUPAC[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
SMILESCc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4ccc(F)cc4F)(C2)C3)c1
InChIInChI=1S/C24H22F2N4O/c1-15-2-5-20-16(8-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(6-7-27-30)18-4-3-17(25)9-19(18)26/h2-5,7-10,21H,6,11-14H2,1H3
InChIKeySCOASWCQAKROGQ-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.75
Rot. Bonds4

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

[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone (PubChem CID 158507310) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
PubChem CID158507310
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
SMILESCc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4ccc(F)cc4F)(C2)C3)c1
InChIInChI=1S/C24H22F2N4O/c1-15-2-5-20-16(8-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(6-7-27-30)18-4-3-17(25)9-19(18)26/h2-5,7-10,21H,6,11-14H2,1H3
InChIKeySCOASWCQAKROGQ-UHFFFAOYSA-N
XLogP4.75
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 158507309
[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]-[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 158763940
[3-(benzotriazol-2-ylmethyl)-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylbenzotriazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrazolo[5,4-c]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[(4-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-[(4-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 159328641
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-ethyl-1-bicyclo[1.1.1]pentanyl)methanone
CID 157178880
1-[[3-[3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[2.1.1]hexanyl]methyl]pyrazolo[4,5-b]pyridine-5-carbonitrile
CID 163576659
6-[[3-[3-(4-cyclopropyl-3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyridine-3-carbonitrile;[3-(4-cyclopropyl-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;6-[[3-[3-[3,5-difluoro-4-(hydroxymethyl)phenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyridine-3-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 157496393
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[fluoro-(3-methylphenyl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 159459928
[3-(3,5-difluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;6-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methylamino]pyridine-3-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]pyrazine-2-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methanone;5-[[3-[3-[4-fluoro-3-(hydroxymethyl)phenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
CID 160604656
[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 158070192
methyl 2-(5-methylindazol-1-yl)acetate
CID 13337773
[3-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methanone
CID 163972356
[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 157489850

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The IUPAC name of [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone (CID 158507310) is [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone is Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4ccc(F)cc4F)(C2)C3)c1.
What is the InChIKey of [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The InChIKey is SCOASWCQAKROGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-15-2-5-20-16(8-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(6-7-27-30)18-4-3-17(25)9-19(18)26/h2-5,7-10,21H,6,11-14H2,1H3.
What are the key properties of [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone has a molecular weight of 420.46 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone is sourced from PubChem (CID 158507310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).