5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine

C27H35ClFN7 — CID 143544891

IUPAC5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine
SMILESCCC1CN(c2cc(F)c(C3=NN=C(N)C3)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H35ClFN7/c1-3-21-17-35(25-14-23(29)27(31-18(25)2)24-15-26(30)33-32-24)12-13-36(21)22-8-10-34(11-9-22)16-19-4-6-20(28)7-5-19/h4-7,14,21-22H,3,8-13,15-17H2,1-2H3,(H2,30,33)
InChIKeySFCVSFWPSRNVIR-UHFFFAOYSA-N
MW512.08 g/mol
LogP4.21
Rot. Bonds6

About 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine

5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine (PubChem CID 143544891) has the molecular formula C27H35ClFN7 and a molecular weight of 512.08 g/mol. Its IUPAC name is 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine
PubChem CID143544891
Molecular FormulaC27H35ClFN7
Molecular Weight512.08 g/mol
Exact Mass511.26
IUPAC Name5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine
SMILESCCC1CN(c2cc(F)c(C3=NN=C(N)C3)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H35ClFN7/c1-3-21-17-35(25-14-23(29)27(31-18(25)2)24-15-26(30)33-32-24)12-13-36(21)22-8-10-34(11-9-22)16-19-4-6-20(28)7-5-19/h4-7,14,21-22H,3,8-13,15-17H2,1-2H3,(H2,30,33)
InChIKeySFCVSFWPSRNVIR-UHFFFAOYSA-N
XLogP4.21
TPSA73.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.08
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine?
The IUPAC name of 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine (CID 143544891) is 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine.
What is the SMILES notation for 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine?
The canonical SMILES for 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine is CCC1CN(c2cc(F)c(C3=NN=C(N)C3)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine?
The InChIKey is SFCVSFWPSRNVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClFN7/c1-3-21-17-35(25-14-23(29)27(31-18(25)2)24-15-26(30)33-32-24)12-13-36(21)22-8-10-34(11-9-22)16-19-4-6-20(28)7-5-19/h4-7,14,21-22H,3,8-13,15-17H2,1-2H3,(H2,30,33).
What are the key properties of 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine?
5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine has a molecular weight of 512.08 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine is sourced from PubChem (CID 143544891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).