4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine

Name: 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₆BrFN₄O — CID 118651848

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine

SMILESCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)c(F)cc21

InChIInChI=1S/C17H16BrFN4O/c1-22-15-10-14(19)13(18)9-12(15)17(21-22)11-2-3-20-16(8-11)23-4-6-24-7-5-23/h2-3,8-10H,4-7H2,1H3

InChIKeyNBLCFYONVXFOGH-UHFFFAOYSA-N

MW391.24 g/mol

LogP3.37

Rot. Bonds2

About 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine

4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 118651848) has the molecular formula C₁₇H₁₆BrFN₄O and a molecular weight of 391.24 g/mol. Its IUPAC name is 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name	4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine
PubChem CID	118651848
Molecular Formula	C₁₇H₁₆BrFN₄O
Molecular Weight	391.24 g/mol
Exact Mass	390.05
IUPAC Name	4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine
SMILES	Cn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)c(F)cc21
InChI	InChI=1S/C17H16BrFN4O/c1-22-15-10-14(19)13(18)9-12(15)17(21-22)11-2-3-20-16(8-11)23-4-6-24-7-5-23/h2-3,8-10H,4-7H2,1H3
InChIKey	NBLCFYONVXFOGH-UHFFFAOYSA-N
XLogP	3.37
TPSA	43.18 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.24
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine?

The IUPAC name of 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine (CID 118651848) is 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine?

The canonical SMILES for 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine is Cn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)c(F)cc21.

What is the InChIKey of 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine?

The InChIKey is NBLCFYONVXFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4O/c1-22-15-10-14(19)13(18)9-12(15)17(21-22)11-2-3-20-16(8-11)23-4-6-24-7-5-23/h2-3,8-10H,4-7H2,1H3.

What are the key properties of 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine?

4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 391.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 118651848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118651848 — identifiers, structure, computed properties (public domain)

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