6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C28H32ClFN6 — CID 24888553

IUPAC6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC)C1CCN(c2ccc(-c3cnn4c(N)c(-c5cccc(Cl)c5)c(C)nc34)c(F)c2)CC1
InChIInChI=1S/C28H32ClFN6/c1-4-34(5-2)21-11-13-35(14-12-21)22-9-10-23(25(30)16-22)24-17-32-36-27(31)26(18(3)33-28(24)36)19-7-6-8-20(29)15-19/h6-10,15-17,21H,4-5,11-14,31H2,1-3H3
InChIKeyOXNCLZHXAZAZGH-UHFFFAOYSA-N
MW507.06 g/mol
LogP6.06
Rot. Bonds6

About 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24888553) has the molecular formula C28H32ClFN6 and a molecular weight of 507.06 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24888553
Molecular FormulaC28H32ClFN6
Molecular Weight507.06 g/mol
Exact Mass506.24
IUPAC Name6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC)C1CCN(c2ccc(-c3cnn4c(N)c(-c5cccc(Cl)c5)c(C)nc34)c(F)c2)CC1
InChIInChI=1S/C28H32ClFN6/c1-4-34(5-2)21-11-13-35(14-12-21)22-9-10-23(25(30)16-22)24-17-32-36-27(31)26(18(3)33-28(24)36)19-7-6-8-20(29)15-19/h6-10,15-17,21H,4-5,11-14,31H2,1-3H3
InChIKeyOXNCLZHXAZAZGH-UHFFFAOYSA-N
XLogP6.06
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.06
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chlorophenyl)-3-[5-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 24890406
2-[4-[3-[7-amino-6-(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenyl]piperazin-1-yl]ethanol
CID 24890934
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)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 69176706
2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol
CID 11669878
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)-N-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628579
7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274439
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
CID 19804348
1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
CID 86273339

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 24888553) is 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCN(CC)C1CCN(c2ccc(-c3cnn4c(N)c(-c5cccc(Cl)c5)c(C)nc34)c(F)c2)CC1.
What is the InChIKey of 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OXNCLZHXAZAZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClFN6/c1-4-34(5-2)21-11-13-35(14-12-21)22-9-10-23(25(30)16-22)24-17-32-36-27(31)26(18(3)33-28(24)36)19-7-6-8-20(29)15-19/h6-10,15-17,21H,4-5,11-14,31H2,1-3H3.
What are the key properties of 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 507.06 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-[4-[4-(diethylamino)piperidin-1-yl]-2-fluorophenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24888553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).