4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine

C24H28ClFN6 — CID 10321765

IUPAC4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccnc(NC3CCCC3)n2)CC1
InChIInChI=1S/C24H28ClFN6/c1-32-12-9-15(10-13-32)22-21(23(31-30-22)18-7-6-16(25)14-19(18)26)20-8-11-27-24(29-20)28-17-4-2-3-5-17/h6-8,11,14-15,17H,2-5,9-10,12-13H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyHVVSTKGAGFQNGN-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.49
Rot. Bonds5

About 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine

4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 10321765) has the molecular formula C24H28ClFN6 and a molecular weight of 454.98 g/mol. Its IUPAC name is 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID10321765
Molecular FormulaC24H28ClFN6
Molecular Weight454.98 g/mol
Exact Mass454.20
IUPAC Name4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccnc(NC3CCCC3)n2)CC1
InChIInChI=1S/C24H28ClFN6/c1-32-12-9-15(10-13-32)22-21(23(31-30-22)18-7-6-16(25)14-19(18)26)20-8-11-27-24(29-20)28-17-4-2-3-5-17/h6-8,11,14-15,17H,2-5,9-10,12-13H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyHVVSTKGAGFQNGN-UHFFFAOYSA-N
XLogP5.49
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sd-0006
CID 9865587
1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
5-bromo-2-N-[(4-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949091
Arylpyrazole, 20
CID 44143420
4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine (CID 10321765) is 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine is CN1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccnc(NC3CCCC3)n2)CC1.
What is the InChIKey of 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is HVVSTKGAGFQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN6/c1-32-12-9-15(10-13-32)22-21(23(31-30-22)18-7-6-16(25)14-19(18)26)20-8-11-27-24(29-20)28-17-4-2-3-5-17/h6-8,11,14-15,17H,2-5,9-10,12-13H2,1H3,(H,30,31)(H,27,28,29).
What are the key properties of 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine has a molecular weight of 454.98 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 10321765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).