N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide

C24H23FN6O — CID 159511707

IUPACN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide
SMILESCc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccn4cncc4c3)C2)n1
InChIInChI=1S/C24H23FN6O/c1-15-8-18(25)2-3-20(15)22-5-4-21(26)23(28-22)29-24(32)31-12-17(13-31)9-16-6-7-30-14-27-11-19(30)10-16/h2-8,10-11,14,17H,9,12-13,26H2,1H3,(H,28,29,32)
InChIKeyINKURCBDYGTRLN-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.13
Rot. Bonds4

About N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide (PubChem CID 159511707) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide
PubChem CID159511707
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide
SMILESCc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccn4cncc4c3)C2)n1
InChIInChI=1S/C24H23FN6O/c1-15-8-18(25)2-3-20(15)22-5-4-21(26)23(28-22)29-24(32)31-12-17(13-31)9-16-6-7-30-14-27-11-19(30)10-16/h2-8,10-11,14,17H,9,12-13,26H2,1H3,(H,28,29,32)
InChIKeyINKURCBDYGTRLN-UHFFFAOYSA-N
XLogP4.13
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 159511705
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 157484665
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide
CID 147018729
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
CID 149278130
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 159879349
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol
CID 145230400
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 155815444
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone
CID 158400189
2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-[3-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 158991235
(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
CID 153394093
(3R)-N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
CID 166727446
2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 158991234

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide (CID 159511707) is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide is Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccn4cncc4c3)C2)n1.
What is the InChIKey of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide?
The InChIKey is INKURCBDYGTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-15-8-18(25)2-3-20(15)22-5-4-21(26)23(28-22)29-24(32)31-12-17(13-31)9-16-6-7-30-14-27-11-19(30)10-16/h2-8,10-11,14,17H,9,12-13,26H2,1H3,(H,28,29,32).
What are the key properties of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide?
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 159511707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).