[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone

C17H24FN5O2 — CID 97371858

IUPAC[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C17H24FN5O2/c18-13-9-19-15(20-10-13)21-14-8-17(25-11-14)4-3-7-23(12-17)16(24)22-5-1-2-6-22/h9-10,14H,1-8,11-12H2,(H,19,20,21)/t14-,17-/m1/s1
InChIKeyFRFBWVLOPWYUKB-RHSMWYFYSA-N
MW349.41 g/mol
LogP1.87
Rot. Bonds2

About [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone

[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97371858) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID97371858
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Name[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C17H24FN5O2/c18-13-9-19-15(20-10-13)21-14-8-17(25-11-14)4-3-7-23(12-17)16(24)22-5-1-2-6-22/h9-10,14H,1-8,11-12H2,(H,19,20,21)/t14-,17-/m1/s1
InChIKeyFRFBWVLOPWYUKB-RHSMWYFYSA-N
XLogP1.87
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194
2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118739200
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626436
1-[(5R,9R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97474736
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
3-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-1,1-dimethylurea
CID 97477281
5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99940329
N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131659823
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
9-(5-Fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 131662077

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (CID 97371858) is [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FRFBWVLOPWYUKB-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H24FN5O2/c18-13-9-19-15(20-10-13)21-14-8-17(25-11-14)4-3-7-23(12-17)16(24)22-5-1-2-6-22/h9-10,14H,1-8,11-12H2,(H,19,20,21)/t14-,17-/m1/s1.
What are the key properties of [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97371858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).