4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one

C19H23FN4O3 — CID 146635792

IUPAC4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one
SMILESC[C@@H](c1ccc(-n2cc(F)cn2)nc1)N1CCOC2(CCC(O)CC2)C1=O
InChIInChI=1S/C19H23FN4O3/c1-13(14-2-3-17(21-10-14)24-12-15(20)11-22-24)23-8-9-27-19(18(23)26)6-4-16(25)5-7-19/h2-3,10-13,16,25H,4-9H2,1H3/t13-,16?,19?/m0/s1
InChIKeyWURMDDZUIZNDGC-ISWZSGDOSA-N
MW374.42 g/mol
LogP2.00
Rot. Bonds3

About 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one

4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one (PubChem CID 146635792) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one
PubChem CID146635792
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one
SMILESC[C@@H](c1ccc(-n2cc(F)cn2)nc1)N1CCOC2(CCC(O)CC2)C1=O
InChIInChI=1S/C19H23FN4O3/c1-13(14-2-3-17(21-10-14)24-12-15(20)11-22-24)23-8-9-27-19(18(23)26)6-4-16(25)5-7-19/h2-3,10-13,16,25H,4-9H2,1H3/t13-,16?,19?/m0/s1
InChIKeyWURMDDZUIZNDGC-ISWZSGDOSA-N
XLogP2.00
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4-azaspiro[5.5]undecane-5,9-dione
CID 146635769
4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undec-9-en-5-one
CID 167140801
4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one
CID 146635571
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 171360572
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 164960554
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 146635785
3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 146635802
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane
CID 146665700
3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 146635627
ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
CID 145307256
1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
CID 146157882
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide
CID 142475463

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one?
The IUPAC name of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one (CID 146635792) is 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one is C[C@@H](c1ccc(-n2cc(F)cn2)nc1)N1CCOC2(CCC(O)CC2)C1=O.
What is the InChIKey of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one?
The InChIKey is WURMDDZUIZNDGC-ISWZSGDOSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-13(14-2-3-17(21-10-14)24-12-15(20)11-22-24)23-8-9-27-19(18(23)26)6-4-16(25)5-7-19/h2-3,10-13,16,25H,4-9H2,1H3/t13-,16?,19?/m0/s1.
What are the key properties of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one?
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one has a molecular weight of 374.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-hydroxy-1-oxa-4-azaspiro[5.5]undecan-5-one is sourced from PubChem (CID 146635792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).