2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol

C25H26ClFN6O — CID 24890934

IUPAC2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol
SMILESCc1nc2c(-c3cc(N4CCN(CCO)CC4)ccc3F)cnn2c(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C25H26ClFN6O/c1-16-23(17-3-2-4-18(26)13-17)24(28)33-25(30-16)21(15-29-33)20-14-19(5-6-22(20)27)32-9-7-31(8-10-32)11-12-34/h2-6,13-15,34H,7-12,28H2,1H3
InChIKeyDUCMIADODGAAAE-UHFFFAOYSA-N
MW480.98 g/mol
LogP3.86
Rot. Bonds5

About 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol

2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol (PubChem CID 24890934) has the molecular formula C25H26ClFN6O and a molecular weight of 480.98 g/mol. Its IUPAC name is 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol
PubChem CID24890934
Molecular FormulaC25H26ClFN6O
Molecular Weight480.98 g/mol
Exact Mass480.18
IUPAC Name2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol
SMILESCc1nc2c(-c3cc(N4CCN(CCO)CC4)ccc3F)cnn2c(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C25H26ClFN6O/c1-16-23(17-3-2-4-18(26)13-17)24(28)33-25(30-16)21(15-29-33)20-14-19(5-6-22(20)27)32-9-7-31(8-10-32)11-12-34/h2-6,13-15,34H,7-12,28H2,1H3
InChIKeyDUCMIADODGAAAE-UHFFFAOYSA-N
XLogP3.86
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol
CID 11669878
6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 24888553
6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11697777
6-(3-chlorophenyl)-3-[5-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 24890406
6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 69176706
N'-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxyphenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 24890068
3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1472663
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
CID 66711825
2-[4-[3-(3-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanol
CID 46241787
7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274439
4-[4-(3-aminophenyl)phenoxy]-2-(4-chlorophenyl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-one
CID 58585379

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol (CID 24890934) is 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol is Cc1nc2c(-c3cc(N4CCN(CCO)CC4)ccc3F)cnn2c(N)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol?
The InChIKey is DUCMIADODGAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN6O/c1-16-23(17-3-2-4-18(26)13-17)24(28)33-25(30-16)21(15-29-33)20-14-19(5-6-22(20)27)32-9-7-31(8-10-32)11-12-34/h2-6,13-15,34H,7-12,28H2,1H3.
What are the key properties of 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol?
2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol has a molecular weight of 480.98 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 24890934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).