ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol

C25H30FN5O — CID 142460417

IUPACethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESCC.CC.Cc1cnn2c(NC3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C21H18FN5O.2C2H6/c1-12-9-24-27-20(25-17-5-13-2-3-18(28)7-14(13)6-17)8-19(26-21(12)27)15-4-16(22)11-23-10-15;2*1-2/h2-4,7-11,17,25,28H,5-6H2,1H3;2*1-2H3
InChIKeyIHFKIHCZXIQTDV-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.58
Rot. Bonds3

About ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol

ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 142460417) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Nameethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID142460417
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Nameethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESCC.CC.Cc1cnn2c(NC3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C21H18FN5O.2C2H6/c1-12-9-24-27-20(25-17-5-13-2-3-18(28)7-14(13)6-17)8-19(26-21(12)27)15-4-16(22)11-23-10-15;2*1-2/h2-4,7-11,17,25,28H,5-6H2,1H3;2*1-2H3
InChIKeyIHFKIHCZXIQTDV-UHFFFAOYSA-N
XLogP5.58
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-[7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880138
2-fluoro-5-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880217
2-fluoro-5-(7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880218
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905302
5-(4-amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905315
(R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880074
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol (CID 142460417) is ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol is CC.CC.Cc1cnn2c(NC3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is IHFKIHCZXIQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O.2C2H6/c1-12-9-24-27-20(25-17-5-13-2-3-18(28)7-14(13)6-17)8-19(26-21(12)27)15-4-16(22)11-23-10-15;2*1-2/h2-4,7-11,17,25,28H,5-6H2,1H3;2*1-2H3.
What are the key properties of ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol?
ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 435.55 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 142460417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).