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

C23H25FN6O — CID 170286062

IUPAC3-[(1R)-1-[2-[4-[(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)cn1
InChIInChI=1S/C23H25FN6O/c1-4-30-13-16(12-27-30)10-17-14-29(3)28-22(17)19-8-7-18(24)11-20(19)15(2)31-21-6-5-9-26-23(21)25/h5-9,11-15H,4,10H2,1-3H3,(H2,25,26)/t15-/m1/s1
InChIKeyIVPXOIQHAIAALB-OAHLLOKOSA-N
MW420.49 g/mol
LogP4.15
Rot. Bonds7

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

3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine (PubChem CID 170286062) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
PubChem CID170286062
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name3-[(1R)-1-[2-[4-[(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)cn1
InChIInChI=1S/C23H25FN6O/c1-4-30-13-16(12-27-30)10-17-14-29(3)28-22(17)19-8-7-18(24)11-20(19)15(2)31-21-6-5-9-26-23(21)25/h5-9,11-15H,4,10H2,1-3H3,(H2,25,26)/t15-/m1/s1
InChIKeyIVPXOIQHAIAALB-OAHLLOKOSA-N
XLogP4.15
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine (CID 170286062) is 3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-[2-[4-[(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)cn1.
What is the InChIKey of 3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The InChIKey is IVPXOIQHAIAALB-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-4-30-13-16(12-27-30)10-17-14-29(3)28-22(17)19-8-7-18(24)11-20(19)15(2)31-21-6-5-9-26-23(21)25/h5-9,11-15H,4,10H2,1-3H3,(H2,25,26)/t15-/m1/s1.
What are the key properties of 3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine has a molecular weight of 420.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine is sourced from PubChem (CID 170286062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).