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

C25H26F2N6O — CID 11669878

IUPAC2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol
SMILESCc1nc2c(-c3cccc(N4CCN(CCO)CC4)c3)cnn2c(N)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C25H26F2N6O/c1-16-23(18-5-6-21(26)22(27)14-18)24(28)33-25(30-16)20(15-29-33)17-3-2-4-19(13-17)32-9-7-31(8-10-32)11-12-34/h2-6,13-15,34H,7-12,28H2,1H3
InChIKeyXHVPHSOEWIIZHR-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.35
Rot. Bonds5

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

2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol (PubChem CID 11669878) has the molecular formula C25H26F2N6O and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol
PubChem CID11669878
Molecular FormulaC25H26F2N6O
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol
SMILESCc1nc2c(-c3cccc(N4CCN(CCO)CC4)c3)cnn2c(N)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C25H26F2N6O/c1-16-23(18-5-6-21(26)22(27)14-18)24(28)33-25(30-16)20(15-29-33)17-3-2-4-19(13-17)32-9-7-31(8-10-32)11-12-34/h2-6,13-15,34H,7-12,28H2,1H3
InChIKeyXHVPHSOEWIIZHR-UHFFFAOYSA-N
XLogP3.35
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11697777
2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol
CID 24890934
5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11553059
3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1472663
6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 24888553
6-(3-chlorophenyl)-3-[5-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 24890406
4-[4-[7-amino-3-[3-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]butyl carbamate
CID 151414123
benzyl 4-[3-[7-amino-6-(4-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazine-1-carboxylate
CID 59176707
1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone
CID 143649558
6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 69176706
2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 56854779
6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68705646

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol (CID 11669878) is 2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol is Cc1nc2c(-c3cccc(N4CCN(CCO)CC4)c3)cnn2c(N)c1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol?
The InChIKey is XHVPHSOEWIIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O/c1-16-23(18-5-6-21(26)22(27)14-18)24(28)33-25(30-16)20(15-29-33)17-3-2-4-19(13-17)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-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol?
2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol has a molecular weight of 464.52 g/mol, XLogP of 3.35, 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-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 11669878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).