N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide

C17H23FN4O2 — CID 97474852

IUPACN-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1CCC[C@]2(CCN(c3ncc(F)cn3)C2)O1)C1CC1
InChIInChI=1S/C17H23FN4O2/c18-13-8-20-16(21-9-13)22-7-6-17(11-22)5-1-2-14(24-17)10-19-15(23)12-3-4-12/h8-9,12,14H,1-7,10-11H2,(H,19,23)/t14-,17-/m1/s1
InChIKeyBQSHLEZPVIPCJM-RHSMWYFYSA-N
MW334.40 g/mol
LogP1.66
Rot. Bonds4

About N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide

N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide (PubChem CID 97474852) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide
PubChem CID97474852
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC NameN-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1CCC[C@]2(CCN(c3ncc(F)cn3)C2)O1)C1CC1
InChIInChI=1S/C17H23FN4O2/c18-13-8-20-16(21-9-13)22-7-6-17(11-22)5-1-2-14(24-17)10-19-15(23)12-3-4-12/h8-9,12,14H,1-7,10-11H2,(H,19,23)/t14-,17-/m1/s1
InChIKeyBQSHLEZPVIPCJM-RHSMWYFYSA-N
XLogP1.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118739200
(3aR,5R,7aR)-N-(cyclopropylmethyl)-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461695
1-[(5R,9R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97474736
[1-(Cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium
CID 163722662
[(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854164
(3R,5R)-9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371846
(3S,5R)-9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371847
(3R,5S)-9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371848
(3S,5S)-9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371849
1-[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
CID 97371854
1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
CID 97371855

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide (CID 97474852) is N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide is O=C(NC[C@H]1CCC[C@]2(CCN(c3ncc(F)cn3)C2)O1)C1CC1.
What is the InChIKey of N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide?
The InChIKey is BQSHLEZPVIPCJM-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-13-8-20-16(21-9-13)22-7-6-17(11-22)5-1-2-14(24-17)10-19-15(23)12-3-4-12/h8-9,12,14H,1-7,10-11H2,(H,19,23)/t14-,17-/m1/s1.
What are the key properties of N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide?
N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 97474852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).