3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone

C21H23FN6O2 — CID 146443102

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone
SMILESCn1ncc2cnc(N3CCC(F)(C(=O)N4CCOc5ccncc5C4)CC3)cc21
InChIInChI=1S/C21H23FN6O2/c1-26-17-10-19(24-12-15(17)13-25-26)27-6-3-21(22,4-7-27)20(29)28-8-9-30-18-2-5-23-11-16(18)14-28/h2,5,10-13H,3-4,6-9,14H2,1H3
InChIKeyWPMSRAWYUMHVBB-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.09
Rot. Bonds2

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone (PubChem CID 146443102) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone
PubChem CID146443102
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone
SMILESCn1ncc2cnc(N3CCC(F)(C(=O)N4CCOc5ccncc5C4)CC3)cc21
InChIInChI=1S/C21H23FN6O2/c1-26-17-10-19(24-12-15(17)13-25-26)27-6-3-21(22,4-7-27)20(29)28-8-9-30-18-2-5-23-11-16(18)14-28/h2,5,10-13H,3-4,6-9,14H2,1H3
InChIKeyWPMSRAWYUMHVBB-UHFFFAOYSA-N
XLogP2.09
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

4-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile
CID 142476006
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone
CID 146443080
4-(4-fluoro-1-isoquinolin-3-ylpiperidine-4-carbonyl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile
CID 142476079
[3,3-difluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidin-4-yl]-(3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone
CID 142475951
2-[4-(3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-4-carbonyl)-3,3-difluoro-4-methylpiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
CID 146443070
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone
CID 142475902
4-(4-fluoro-1-quinazolin-2-ylpiperidine-4-carbonyl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile
CID 142475879
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone
CID 90091575
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(methylamino)-3-pyridinyl]methanone
CID 81235633
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 171553668
[7-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-methylazepan-2-yl)methanone
CID 45209013
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146864

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone (CID 146443102) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone is Cn1ncc2cnc(N3CCC(F)(C(=O)N4CCOc5ccncc5C4)CC3)cc21.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone?
The InChIKey is WPMSRAWYUMHVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-26-17-10-19(24-12-15(17)13-25-26)27-6-3-21(22,4-7-27)20(29)28-8-9-30-18-2-5-23-11-16(18)14-28/h2,5,10-13H,3-4,6-9,14H2,1H3.
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone has a molecular weight of 410.45 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 146443102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).