4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C24H28F3N3O4 — CID 130390209

IUPAC4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc(C(C)N2Cc3c(ccnc3C(=O)C(C)CCCO)C2=O)ncc1OCCC(F)(F)F
InChIInChI=1S/C24H28F3N3O4/c1-14(5-4-9-31)22(32)21-18-13-30(23(33)17(18)6-8-28-21)16(3)19-11-15(2)20(12-29-19)34-10-7-24(25,26)27/h6,8,11-12,14,16,31H,4-5,7,9-10,13H2,1-3H3
InChIKeyHGQAXAIRRIALKY-UHFFFAOYSA-N
MW479.50 g/mol
LogP4.42
Rot. Bonds10

About 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 130390209) has the molecular formula C24H28F3N3O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID130390209
Molecular FormulaC24H28F3N3O4
Molecular Weight479.50 g/mol
Exact Mass479.20
IUPAC Name4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc(C(C)N2Cc3c(ccnc3C(=O)C(C)CCCO)C2=O)ncc1OCCC(F)(F)F
InChIInChI=1S/C24H28F3N3O4/c1-14(5-4-9-31)22(32)21-18-13-30(23(33)17(18)6-8-28-21)16(3)19-11-15(2)20(12-29-19)34-10-7-24(25,26)27/h6,8,11-12,14,16,31H,4-5,7,9-10,13H2,1-3H3
InChIKeyHGQAXAIRRIALKY-UHFFFAOYSA-N
XLogP4.42
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 130390209) is 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1cc(C(C)N2Cc3c(ccnc3C(=O)C(C)CCCO)C2=O)ncc1OCCC(F)(F)F.
What is the InChIKey of 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is HGQAXAIRRIALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4/c1-14(5-4-9-31)22(32)21-18-13-30(23(33)17(18)6-8-28-21)16(3)19-11-15(2)20(12-29-19)34-10-7-24(25,26)27/h6,8,11-12,14,16,31H,4-5,7,9-10,13H2,1-3H3.
What are the key properties of 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 479.50 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-methylpentanoyl)-2-[1-[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 130390209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).