1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide

C18H20FN7O3 — CID 167187840

IUPAC1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2cc(OC3CN(C(=O)N4CCC=N4)C3)c(F)cn2)c(C)c1C(N)=O
InChIInChI=1S/C18H20FN7O3/c1-10-16(17(20)27)11(2)26(23-10)15-6-14(13(19)7-21-15)29-12-8-24(9-12)18(28)25-5-3-4-22-25/h4,6-7,12H,3,5,8-9H2,1-2H3,(H2,20,27)
InChIKeyYOFSSHBLUWFDIA-UHFFFAOYSA-N
MW401.40 g/mol
LogP1.00
Rot. Bonds4

About 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide

1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 167187840) has the molecular formula C18H20FN7O3 and a molecular weight of 401.40 g/mol. Its IUPAC name is 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID167187840
Molecular FormulaC18H20FN7O3
Molecular Weight401.40 g/mol
Exact Mass401.16
IUPAC Name1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2cc(OC3CN(C(=O)N4CCC=N4)C3)c(F)cn2)c(C)c1C(N)=O
InChIInChI=1S/C18H20FN7O3/c1-10-16(17(20)27)11(2)26(23-10)15-6-14(13(19)7-21-15)29-12-8-24(9-12)18(28)25-5-3-4-22-25/h4,6-7,12H,3,5,8-9H2,1-2H3,(H2,20,27)
InChIKeyYOFSSHBLUWFDIA-UHFFFAOYSA-N
XLogP1.00
TPSA118.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
CID 166857593
1-[5-fluoro-4-[1-[(3S)-3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
CID 167187755
[3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 166857591
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857491
2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 166857584
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[2-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 174201739
N-cyclobutyl-1-[4-[1-[(3S)-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
CID 166857475
2-[1-[4-[1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 166857689
tert-butyl 3-[[2-(4-ethylsulfonyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-4-pyridinyl]oxy]azetidine-1-carboxylate
CID 170540613
[3-[[2-(4-benzylsulfanyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 174202337
1-[4-[1-[(3S)-3-[(3E,5E)-4,6-difluorohepta-1,3,5-trien-2-yl]-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-N-methoxy-3,5-dimethylpyrazole-4-sulfonamide
CID 166857921
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857869

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide (CID 167187840) is 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2cc(OC3CN(C(=O)N4CCC=N4)C3)c(F)cn2)c(C)c1C(N)=O.
What is the InChIKey of 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is YOFSSHBLUWFDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O3/c1-10-16(17(20)27)11(2)26(23-10)15-6-14(13(19)7-21-15)29-12-8-24(9-12)18(28)25-5-3-4-22-25/h4,6-7,12H,3,5,8-9H2,1-2H3,(H2,20,27).
What are the key properties of 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide?
1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 167187840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).