5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile

C26H24FN5O3 — CID 90075654

IUPAC5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile
SMILESCC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c(C#N)c1N
InChIInChI=1S/C26H24FN5O3/c1-16(2)32-26(29)24(12-28)25(31-32)18-4-7-21(8-5-18)35-23-10-19(27)9-22(11-23)34-15-17-3-6-20(14-33)30-13-17/h3-11,13,16,33H,14-15,29H2,1-2H3
InChIKeyHUPDARUKSZCCPN-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.98
Rot. Bonds8

About 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile

5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile (PubChem CID 90075654) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile
PubChem CID90075654
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile
SMILESCC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c(C#N)c1N
InChIInChI=1S/C26H24FN5O3/c1-16(2)32-26(29)24(12-28)25(31-32)18-4-7-21(8-5-18)35-23-10-19(27)9-22(11-23)34-15-17-3-6-20(14-33)30-13-17/h3-11,13,16,33H,14-15,29H2,1-2H3
InChIKeyHUPDARUKSZCCPN-UHFFFAOYSA-N
XLogP4.98
TPSA119.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile 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 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile (CID 90075654) is 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile is CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile?
The InChIKey is HUPDARUKSZCCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-16(2)32-26(29)24(12-28)25(31-32)18-4-7-21(8-5-18)35-23-10-19(27)9-22(11-23)34-15-17-3-6-20(14-33)30-13-17/h3-11,13,16,33H,14-15,29H2,1-2H3.
What are the key properties of 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile?
5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile has a molecular weight of 473.51 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[3-fluoro-5-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 90075654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).