[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone

C17H20FN5O2 — CID 131648425

IUPAC[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCCC2(CC(Nc3ncccc3F)CO2)C1
InChIInChI=1S/C17H20FN5O2/c18-13-3-1-5-20-15(13)22-12-7-17(25-9-12)4-2-6-23(10-17)16(24)14-8-19-11-21-14/h1,3,5,8,11-12H,2,4,6-7,9-10H2,(H,19,21)(H,20,22)
InChIKeyBXFSVVTWOTYBNZ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.82
Rot. Bonds3

About [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone

[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 131648425) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
PubChem CID131648425
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCCC2(CC(Nc3ncccc3F)CO2)C1
InChIInChI=1S/C17H20FN5O2/c18-13-3-1-5-20-15(13)22-12-7-17(25-9-12)4-2-6-23(10-17)16(24)14-8-19-11-21-14/h1,3,5,8,11-12H,2,4,6-7,9-10H2,(H,19,21)(H,20,22)
InChIKeyBXFSVVTWOTYBNZ-UHFFFAOYSA-N
XLogP1.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155857322
N-(3-fluoro-2-pyridinyl)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171696681
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(2-methylfuran-3-yl)methanone
CID 97486190
1-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3-hydroxypropan-1-one
CID 97486977
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489467
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 171688641
N-(3-fluoro-2-pyridinyl)-9-propylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131661660
N-(3-fluoro-2-pyridinyl)-7-(5-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131651435
furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371695
(3S,5S)-7-[(4-fluorophenyl)methyl]-N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124519867
(3S,5R)-7-ethylsulfonyl-N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521742
[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154916328

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone (CID 131648425) is [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCCC2(CC(Nc3ncccc3F)CO2)C1.
What is the InChIKey of [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is BXFSVVTWOTYBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-13-3-1-5-20-15(13)22-12-7-17(25-9-12)4-2-6-23(10-17)16(24)14-8-19-11-21-14/h1,3,5,8,11-12H,2,4,6-7,9-10H2,(H,19,21)(H,20,22).
What are the key properties of [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone?
[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 345.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 131648425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).