(6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C18H19FN4O2 — CID 166746646

IUPAC(6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCOC1CN(C(=O)c2cc(C)[nH]n2)Cc2c1[nH]c1c(F)ccc(C)c21
InChIInChI=1S/C18H19FN4O2/c1-9-4-5-12(19)17-15(9)11-7-23(8-14(25-3)16(11)20-17)18(24)13-6-10(2)21-22-13/h4-6,14,20H,7-8H2,1-3H3,(H,21,22)
InChIKeyPVQKGKYTQJCDTR-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.99
Rot. Bonds2

About (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 166746646) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID166746646
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name(6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCOC1CN(C(=O)c2cc(C)[nH]n2)Cc2c1[nH]c1c(F)ccc(C)c21
InChIInChI=1S/C18H19FN4O2/c1-9-4-5-12(19)17-15(9)11-7-23(8-14(25-3)16(11)20-17)18(24)13-6-10(2)21-22-13/h4-6,14,20H,7-8H2,1-3H3,(H,21,22)
InChIKeyPVQKGKYTQJCDTR-UHFFFAOYSA-N
XLogP2.99
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 166746646) is (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is COC1CN(C(=O)c2cc(C)[nH]n2)Cc2c1[nH]c1c(F)ccc(C)c21.
What is the InChIKey of (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is PVQKGKYTQJCDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-9-4-5-12(19)17-15(9)11-7-23(8-14(25-3)16(11)20-17)18(24)13-6-10(2)21-22-13/h4-6,14,20H,7-8H2,1-3H3,(H,21,22).
What are the key properties of (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 342.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-methoxy-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 166746646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).