N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide

C22H25FN6O3 — CID 147538329

IUPACN-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)c(F)c2)ccn1
InChIInChI=1S/C22H25FN6O3/c1-13(30)25-19-11-15(8-9-24-19)32-14-6-7-17(16(23)10-14)26-21(31)27-20-12-18(22(2,3)4)28-29(20)5/h6-12H,1-5H3,(H,24,25,30)(H2,26,27,31)
InChIKeyFOKDTUHZKJGPII-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.65
Rot. Bonds5

About N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide

N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide (PubChem CID 147538329) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide
PubChem CID147538329
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC NameN-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)c(F)c2)ccn1
InChIInChI=1S/C22H25FN6O3/c1-13(30)25-19-11-15(8-9-24-19)32-14-6-7-17(16(23)10-14)26-21(31)27-20-12-18(22(2,3)4)28-29(20)5/h6-12H,1-5H3,(H,24,25,30)(H2,26,27,31)
InChIKeyFOKDTUHZKJGPII-UHFFFAOYSA-N
XLogP4.65
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide (CID 147538329) is N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)c(F)c2)ccn1.
What is the InChIKey of N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide?
The InChIKey is FOKDTUHZKJGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-13(30)25-19-11-15(8-9-24-19)32-14-6-7-17(16(23)10-14)26-21(31)27-20-12-18(22(2,3)4)28-29(20)5/h6-12H,1-5H3,(H,24,25,30)(H2,26,27,31).
What are the key properties of N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide?
N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide has a molecular weight of 440.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 147538329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).