6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid

C17H22F2N4O3 — CID 155710080

IUPAC6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid
SMILESCOC(CCCC(C)C(=O)O)c1cc(-c2c(N)cnn2C(F)F)ccn1
InChIInChI=1S/C17H22F2N4O3/c1-10(16(24)25)4-3-5-14(26-2)13-8-11(6-7-21-13)15-12(20)9-22-23(15)17(18)19/h6-10,14,17H,3-5,20H2,1-2H3,(H,24,25)
InChIKeyCGZUUVRTTCVISO-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.50
Rot. Bonds9

About 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid

6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid (PubChem CID 155710080) has the molecular formula C17H22F2N4O3 and a molecular weight of 368.38 g/mol. Its IUPAC name is 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid.

Molecular Properties

Compound Name6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid
PubChem CID155710080
Molecular FormulaC17H22F2N4O3
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC Name6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid
SMILESCOC(CCCC(C)C(=O)O)c1cc(-c2c(N)cnn2C(F)F)ccn1
InChIInChI=1S/C17H22F2N4O3/c1-10(16(24)25)4-3-5-14(26-2)13-8-11(6-7-21-13)15-12(20)9-22-23(15)17(18)19/h6-10,14,17H,3-5,20H2,1-2H3,(H,24,25)
InChIKeyCGZUUVRTTCVISO-UHFFFAOYSA-N
XLogP3.50
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid 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 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid?
The IUPAC name of 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid (CID 155710080) is 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid.
What is the SMILES notation for 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid?
The canonical SMILES for 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid is COC(CCCC(C)C(=O)O)c1cc(-c2c(N)cnn2C(F)F)ccn1.
What is the InChIKey of 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid?
The InChIKey is CGZUUVRTTCVISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O3/c1-10(16(24)25)4-3-5-14(26-2)13-8-11(6-7-21-13)15-12(20)9-22-23(15)17(18)19/h6-10,14,17H,3-5,20H2,1-2H3,(H,24,25).
What are the key properties of 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid?
6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid has a molecular weight of 368.38 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid is sourced from PubChem (CID 155710080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).