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

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Related Compounds

(2S)-2-amino-3-[4-[5-[2,2,2-trifluoro-1-(2-pyrazol-1-ylphenyl)ethoxy]pyrazin-2-yl]phenyl]propanoic acid
CID 25026894
3-Amino-6-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)picolinic acid
CID 67383277
Ethyl 2-(2-aminoethyl)-5-[2-[4-(dimethylamino)phenyl]pyridin-4-yl]pyrazole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 69159297
3-(Trifluoromethyl)phenylmethyl beta-hydroxy-alpha-(4-methyl-1-pyrazolylmethyl)-3-pyridinepropanoate
CID 86602112
1-[4-[4-Amino-2-(difluoromethyl)pyrazol-3-yl]pyridin-2-yl]but-3-enyl carbamate
CID 153969494
methyl (2R)-6-[4-[1-(difluoromethyl)-4-nitropyrazol-5-yl]-2-pyridinyl]-6,6-dimethoxy-2-methylhexanoate
CID 155205442
3-(Difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 155220351
(9R)-3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 155220425
3-(Difluoromethyl)-13-methoxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 155710047
methyl (E)-6-[4-[1-(difluoromethyl)-4-nitropyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhex-4-enoate
CID 155710067
6-[4-[1-(Difluoromethyl)-4-nitropyrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methylhexanoic acid
CID 155710068
(2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide
CID 163255743

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).