N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide

C20H17F3N4O4 — CID 9419189

IUPACN-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C1)c1ccncc1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)31-15-3-1-14(2-4-15)27-18(29)16-11-13(7-10-26(16)19(27)30)25-17(28)12-5-8-24-9-6-12/h1-6,8-9,13,16H,7,10-11H2,(H,25,28)/t13-,16-/m0/s1
InChIKeyFYGAYUAZEAKWBD-BBRMVZONSA-N
MW434.37 g/mol
LogP2.71
Rot. Bonds4

About N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide

N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide (PubChem CID 9419189) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
PubChem CID9419189
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC NameN-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C1)c1ccncc1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)31-15-3-1-14(2-4-15)27-18(29)16-11-13(7-10-26(16)19(27)30)25-17(28)12-5-8-24-9-6-12/h1-6,8-9,13,16H,7,10-11H2,(H,25,28)/t13-,16-/m0/s1
InChIKeyFYGAYUAZEAKWBD-BBRMVZONSA-N
XLogP2.71
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide (CID 9419189) is N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide is O=C(N[C@H]1CCN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C1)c1ccncc1.
What is the InChIKey of N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide?
The InChIKey is FYGAYUAZEAKWBD-BBRMVZONSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c21-20(22,23)31-15-3-1-14(2-4-15)27-18(29)16-11-13(7-10-26(16)19(27)30)25-17(28)12-5-8-24-9-6-12/h1-6,8-9,13,16H,7,10-11H2,(H,25,28)/t13-,16-/m0/s1.
What are the key properties of N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide?
N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 9419189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).