9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H18FN5O2 — CID 97408602

IUPAC9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1c1cccnc1
InChIInChI=1S/C17H18FN5O2/c18-13-8-20-16(21-9-13)22-6-3-17(4-7-22)12-23(15(24)11-25-17)14-2-1-5-19-10-14/h1-2,5,8-10H,3-4,6-7,11-12H2
InChIKeyNXXZVJIUNACHOR-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.41
Rot. Bonds2

About 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97408602) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97408602
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1c1cccnc1
InChIInChI=1S/C17H18FN5O2/c18-13-8-20-16(21-9-13)22-6-3-17(4-7-22)12-23(15(24)11-25-17)14-2-1-5-19-10-14/h1-2,5,8-10H,3-4,6-7,11-12H2
InChIKeyNXXZVJIUNACHOR-UHFFFAOYSA-N
XLogP1.41
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385661
9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 134073634
9-(2-methoxyethyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97415941
4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 171696964
9-cyclopropylsulfonyl-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743823
9-(5-methylpyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743030
6-acetyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073015
4-(1-methylpyrazol-4-yl)-9-(pyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451125
4-(4-fluorophenyl)-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985854
6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 155876866
(6S)-8-[(5-methylfuran-2-yl)methyl]-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374598
8-[2-(dimethylamino)acetyl]-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 134077933

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97408602) is 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1c1cccnc1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NXXZVJIUNACHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-13-8-20-16(21-9-13)22-6-3-17(4-7-22)12-23(15(24)11-25-17)14-2-1-5-19-10-14/h1-2,5,8-10H,3-4,6-7,11-12H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 343.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97408602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).