N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide

C23H20ClF4N5O — CID 143313715

IUPACN-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CN(c2cnc(-c3ccc(C(F)(F)F)cc3F)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C23H20ClF4N5O/c1-12(2)22(34)31-14-10-33(11-14)19-9-30-20(21(32-19)15-5-6-29-8-17(15)24)16-4-3-13(7-18(16)25)23(26,27)28/h3-9,12,14H,10-11H2,1-2H3,(H,31,34)
InChIKeyADPDZWAHKMBKLG-UHFFFAOYSA-N
MW493.89 g/mol
LogP4.98
Rot. Bonds5

About N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide

N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide (PubChem CID 143313715) has the molecular formula C23H20ClF4N5O and a molecular weight of 493.89 g/mol. Its IUPAC name is N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide
PubChem CID143313715
Molecular FormulaC23H20ClF4N5O
Molecular Weight493.89 g/mol
Exact Mass493.13
IUPAC NameN-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CN(c2cnc(-c3ccc(C(F)(F)F)cc3F)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C23H20ClF4N5O/c1-12(2)22(34)31-14-10-33(11-14)19-9-30-20(21(32-19)15-5-6-29-8-17(15)24)16-4-3-13(7-18(16)25)23(26,27)28/h3-9,12,14H,10-11H2,1-2H3,(H,31,34)
InChIKeyADPDZWAHKMBKLG-UHFFFAOYSA-N
XLogP4.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.89
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide (CID 143313715) is N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CN(c2cnc(-c3ccc(C(F)(F)F)cc3F)c(-c3ccncc3Cl)n2)C1.
What is the InChIKey of N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide?
The InChIKey is ADPDZWAHKMBKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF4N5O/c1-12(2)22(34)31-14-10-33(11-14)19-9-30-20(21(32-19)15-5-6-29-8-17(15)24)16-4-3-13(7-18(16)25)23(26,27)28/h3-9,12,14H,10-11H2,1-2H3,(H,31,34).
What are the key properties of N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide?
N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide has a molecular weight of 493.89 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 143313715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).