(5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one

C20H16F3N7O — CID 156791672

IUPAC(5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one
SMILESCc1cc(C(F)(F)F)cc(N2C(=O)NC[C@H]2c2nccn2-c2ccc3cc[nH]c3n2)n1
InChIInChI=1S/C20H16F3N7O/c1-11-8-13(20(21,22)23)9-16(27-11)30-14(10-26-19(30)31)18-25-6-7-29(18)15-3-2-12-4-5-24-17(12)28-15/h2-9,14H,10H2,1H3,(H,24,28)(H,26,31)/t14-/m0/s1
InChIKeyZMVIFOYVNVJWKG-AWEZNQCLSA-N
MW427.39 g/mol
LogP3.74
Rot. Bonds3

About (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one

(5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one (PubChem CID 156791672) has the molecular formula C20H16F3N7O and a molecular weight of 427.39 g/mol. Its IUPAC name is (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one
PubChem CID156791672
Molecular FormulaC20H16F3N7O
Molecular Weight427.39 g/mol
Exact Mass427.14
IUPAC Name(5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one
SMILESCc1cc(C(F)(F)F)cc(N2C(=O)NC[C@H]2c2nccn2-c2ccc3cc[nH]c3n2)n1
InChIInChI=1S/C20H16F3N7O/c1-11-8-13(20(21,22)23)9-16(27-11)30-14(10-26-19(30)31)18-25-6-7-29(18)15-3-2-12-4-5-24-17(12)28-15/h2-9,14H,10H2,1H3,(H,24,28)(H,26,31)/t14-/m0/s1
InChIKeyZMVIFOYVNVJWKG-AWEZNQCLSA-N
XLogP3.74
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one?
The IUPAC name of (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one (CID 156791672) is (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one?
The canonical SMILES for (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one is Cc1cc(C(F)(F)F)cc(N2C(=O)NC[C@H]2c2nccn2-c2ccc3cc[nH]c3n2)n1.
What is the InChIKey of (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one?
The InChIKey is ZMVIFOYVNVJWKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H16F3N7O/c1-11-8-13(20(21,22)23)9-16(27-11)30-14(10-26-19(30)31)18-25-6-7-29(18)15-3-2-12-4-5-24-17(12)28-15/h2-9,14H,10H2,1H3,(H,24,28)(H,26,31)/t14-/m0/s1.
What are the key properties of (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one?
(5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one has a molecular weight of 427.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 156791672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).