3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide

C22H25FN6O2 — CID 89473588

IUPAC3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide
SMILESCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C22H25FN6O2/c1-22(7-10-28(11-8-22)13-15-2-4-17(30)5-3-15)29-14-18(20(24)31)21(27-29)26-16-6-9-25-19(23)12-16/h2-6,9,12,14,30H,7-8,10-11,13H2,1H3,(H2,24,31)(H,25,26,27)
InChIKeyHCIQAHWSTZTEGW-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.98
Rot. Bonds6

About 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide

3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 89473588) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide
PubChem CID89473588
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide
SMILESCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C22H25FN6O2/c1-22(7-10-28(11-8-22)13-15-2-4-17(30)5-3-15)29-14-18(20(24)31)21(27-29)26-16-6-9-25-19(23)12-16/h2-6,9,12,14,30H,7-8,10-11,13H2,1H3,(H2,24,31)(H,25,26,27)
InChIKeyHCIQAHWSTZTEGW-UHFFFAOYSA-N
XLogP2.98
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide (CID 89473588) is 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide is CC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is HCIQAHWSTZTEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-22(7-10-28(11-8-22)13-15-2-4-17(30)5-3-15)29-14-18(20(24)31)21(27-29)26-16-6-9-25-19(23)12-16/h2-6,9,12,14,30H,7-8,10-11,13H2,1H3,(H2,24,31)(H,25,26,27).
What are the key properties of 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide?
3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 89473588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).