(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide

C23H24FN7O3 — CID 139402741

IUPAC(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide
SMILESCN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)NCc1cccc(F)c1)c1cn(C)cn1
InChIInChI=1S/C23H24FN7O3/c1-29-12-19(28-13-29)30(2)22(33)20-17(9-14-6-7-26-18(25)10-14)21(32)31(20)23(34)27-11-15-4-3-5-16(24)8-15/h3-8,10,12-13,17,20H,9,11H2,1-2H3,(H2,25,26)(H,27,34)/t17-,20+/m1/s1
InChIKeyNPAUUFMPTHKRGU-XLIONFOSSA-N
MW465.49 g/mol
LogP1.48
Rot. Bonds6

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide (PubChem CID 139402741) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide
PubChem CID139402741
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide
SMILESCN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)NCc1cccc(F)c1)c1cn(C)cn1
InChIInChI=1S/C23H24FN7O3/c1-29-12-19(28-13-29)30(2)22(33)20-17(9-14-6-7-26-18(25)10-14)21(32)31(20)23(34)27-11-15-4-3-5-16(24)8-15/h3-8,10,12-13,17,20H,9,11H2,1-2H3,(H2,25,26)(H,27,34)/t17-,20+/m1/s1
InChIKeyNPAUUFMPTHKRGU-XLIONFOSSA-N
XLogP1.48
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide?
The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide (CID 139402741) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide.
What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide?
The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide is CN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)NCc1cccc(F)c1)c1cn(C)cn1.
What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide?
The InChIKey is NPAUUFMPTHKRGU-XLIONFOSSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-29-12-19(28-13-29)30(2)22(33)20-17(9-14-6-7-26-18(25)10-14)21(32)31(20)23(34)27-11-15-4-3-5-16(24)8-15/h3-8,10,12-13,17,20H,9,11H2,1-2H3,(H2,25,26)(H,27,34)/t17-,20+/m1/s1.
What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide?
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(3-fluorophenyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide is sourced from PubChem (CID 139402741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).