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

C23H26ClFN6 — CID 10026288

IUPAC4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
SMILESFc1cc(Cl)ccc1-c1n[nH]c(C2CCNCC2)c1-c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C23H26ClFN6/c24-15-5-6-17(18(25)13-15)22-20(21(30-31-22)14-7-10-26-11-8-14)19-9-12-27-23(29-19)28-16-3-1-2-4-16/h5-6,9,12-14,16,26H,1-4,7-8,10-11H2,(H,30,31)(H,27,28,29)
InChIKeyYCTSXKWZVLSLDN-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.15
Rot. Bonds5

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

4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 10026288) has the molecular formula C23H26ClFN6 and a molecular weight of 440.95 g/mol. Its IUPAC name is 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID10026288
Molecular FormulaC23H26ClFN6
Molecular Weight440.95 g/mol
Exact Mass440.19
IUPAC Name4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
SMILESFc1cc(Cl)ccc1-c1n[nH]c(C2CCNCC2)c1-c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C23H26ClFN6/c24-15-5-6-17(18(25)13-15)22-20(21(30-31-22)14-7-10-26-11-8-14)19-9-12-27-23(29-19)28-16-3-1-2-4-16/h5-6,9,12-14,16,26H,1-4,7-8,10-11H2,(H,30,31)(H,27,28,29)
InChIKeyYCTSXKWZVLSLDN-UHFFFAOYSA-N
XLogP5.15
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.15
H-Bond Donors ≤ 53
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
5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949248
Arylpyrazole, 20
CID 44143420

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine (CID 10026288) is 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine is Fc1cc(Cl)ccc1-c1n[nH]c(C2CCNCC2)c1-c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is YCTSXKWZVLSLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6/c24-15-5-6-17(18(25)13-15)22-20(21(30-31-22)14-7-10-26-11-8-14)19-9-12-27-23(29-19)28-16-3-1-2-4-16/h5-6,9,12-14,16,26H,1-4,7-8,10-11H2,(H,30,31)(H,27,28,29).
What are the key properties of 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine has a molecular weight of 440.95 g/mol, XLogP of 5.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 10026288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).