N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide

C17H23FN4O2 — CID 97486699

IUPACN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2)C1CC1
InChIInChI=1S/C17H23FN4O2/c18-13-9-19-16(20-10-13)22-6-3-17(4-7-22)5-8-24-11-14(17)21-15(23)12-1-2-12/h9-10,12,14H,1-8,11H2,(H,21,23)/t14-/m1/s1
InChIKeyPQPQTGJHOAZJFS-CQSZACIVSA-N
MW334.40 g/mol
LogP1.52
Rot. Bonds3

About N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide

N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide (PubChem CID 97486699) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
PubChem CID97486699
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC NameN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2)C1CC1
InChIInChI=1S/C17H23FN4O2/c18-13-9-19-16(20-10-13)22-6-3-17(4-7-22)5-8-24-11-14(17)21-15(23)12-1-2-12/h9-10,12,14H,1-8,11H2,(H,21,23)/t14-/m1/s1
InChIKeyPQPQTGJHOAZJFS-CQSZACIVSA-N
XLogP1.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
[2-(5-Fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739029
1'-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide
CID 56863879
N-[(1r,4r)-4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]-1-acetyl-4-piperidinecarboxamide
CID 91626362
9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97209012
2-Cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 131644954
[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
cyclopropyl-[(2R,3S)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-3-(methylsulfanylmethylamino)piperidin-1-yl]methanone
CID 166990243
1-[4-[[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 50975283
1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide
CID 56880429

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide (CID 97486699) is N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide is O=C(N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2)C1CC1.
What is the InChIKey of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The InChIKey is PQPQTGJHOAZJFS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-13-9-19-16(20-10-13)22-6-3-17(4-7-22)5-8-24-11-14(17)21-15(23)12-1-2-12/h9-10,12,14H,1-8,11H2,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 97486699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).