(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine

C20H19FN6O — CID 163996893

IUPAC(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccn[nH]2)cc(-c2c(F)ncc3[nH]ccc23)n1
InChIInChI=1S/C20H19FN6O/c1-12-11-28-7-6-27(12)18-9-13(15-3-5-24-26-15)8-16(25-18)19-14-2-4-22-17(14)10-23-20(19)21/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,24,26)/t12-/m1/s1
InChIKeyUFLWDVZEEMQWSF-GFCCVEGCSA-N
MW378.41 g/mol
LogP3.38
Rot. Bonds3

About (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine

(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine (PubChem CID 163996893) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine
PubChem CID163996893
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccn[nH]2)cc(-c2c(F)ncc3[nH]ccc23)n1
InChIInChI=1S/C20H19FN6O/c1-12-11-28-7-6-27(12)18-9-13(15-3-5-24-26-15)8-16(25-18)19-14-2-4-22-17(14)10-23-20(19)21/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,24,26)/t12-/m1/s1
InChIKeyUFLWDVZEEMQWSF-GFCCVEGCSA-N
XLogP3.38
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437
(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine
CID 170036285
6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrimidin-4-amine
CID 137417744
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
3-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 155648481
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
2-fluoro-4-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 130245718
(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869597
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512
2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
CID 134446532

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine (CID 163996893) is (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccn[nH]2)cc(-c2c(F)ncc3[nH]ccc23)n1.
What is the InChIKey of (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine?
The InChIKey is UFLWDVZEEMQWSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12-11-28-7-6-27(12)18-9-13(15-3-5-24-26-15)8-16(25-18)19-14-2-4-22-17(14)10-23-20(19)21/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,24,26)/t12-/m1/s1.
What are the key properties of (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine?
(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine has a molecular weight of 378.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 163996893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).