3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine

C23H24ClFN6O — CID 170270249

IUPAC3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
SMILESCCn1cc(Cc2cn(C)nc2-c2ccc(F)cc2[C@H](C)Oc2cccnc2N)c(Cl)n1
InChIInChI=1S/C23H24ClFN6O/c1-4-31-13-16(22(24)29-31)10-15-12-30(3)28-21(15)18-8-7-17(25)11-19(18)14(2)32-20-6-5-9-27-23(20)26/h5-9,11-14H,4,10H2,1-3H3,(H2,26,27)/t14-/m0/s1
InChIKeyXSHMNZINTHDREB-AWEZNQCLSA-N
MW454.94 g/mol
LogP4.80
Rot. Bonds7

About 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine

3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine (PubChem CID 170270249) has the molecular formula C23H24ClFN6O and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
PubChem CID170270249
Molecular FormulaC23H24ClFN6O
Molecular Weight454.94 g/mol
Exact Mass454.17
IUPAC Name3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
SMILESCCn1cc(Cc2cn(C)nc2-c2ccc(F)cc2[C@H](C)Oc2cccnc2N)c(Cl)n1
InChIInChI=1S/C23H24ClFN6O/c1-4-31-13-16(22(24)29-31)10-15-12-30(3)28-21(15)18-8-7-17(25)11-19(18)14(2)32-20-6-5-9-27-23(20)26/h5-9,11-14H,4,10H2,1-3H3,(H2,26,27)/t14-/m0/s1
InChIKeyXSHMNZINTHDREB-AWEZNQCLSA-N
XLogP4.80
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The IUPAC name of 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine (CID 170270249) is 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine is CCn1cc(Cc2cn(C)nc2-c2ccc(F)cc2[C@H](C)Oc2cccnc2N)c(Cl)n1.
What is the InChIKey of 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The InChIKey is XSHMNZINTHDREB-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24ClFN6O/c1-4-31-13-16(22(24)29-31)10-15-12-30(3)28-21(15)18-8-7-17(25)11-19(18)14(2)32-20-6-5-9-27-23(20)26/h5-9,11-14H,4,10H2,1-3H3,(H2,26,27)/t14-/m0/s1.
What are the key properties of 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine has a molecular weight of 454.94 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine is sourced from PubChem (CID 170270249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).