8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one

C23H24FN5O2 — CID 52942650

IUPAC8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1
InChIInChI=1S/C23H24FN5O2/c24-20-5-1-2-6-21(20)29-15-18(13-27-29)26-12-17-7-9-23(10-8-17)16-28(22(30)31-23)19-4-3-11-25-14-19/h1-6,11,13-15,17,26H,7-10,12,16H2
InChIKeySFYLMRGIENEPLX-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.40
Rot. Bonds5

About 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one

8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 52942650) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID52942650
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1
InChIInChI=1S/C23H24FN5O2/c24-20-5-1-2-6-21(20)29-15-18(13-27-29)26-12-17-7-9-23(10-8-17)16-28(22(30)31-23)19-4-3-11-25-14-19/h1-6,11,13-15,17,26H,7-10,12,16H2
InChIKeySFYLMRGIENEPLX-UHFFFAOYSA-N
XLogP4.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 52942650) is 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1.
What is the InChIKey of 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is SFYLMRGIENEPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c24-20-5-1-2-6-21(20)29-15-18(13-27-29)26-12-17-7-9-23(10-8-17)16-28(22(30)31-23)19-4-3-11-25-14-19/h1-6,11,13-15,17,26H,7-10,12,16H2.
What are the key properties of 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one?
8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 421.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[[1-(2-fluorophenyl)pyrazol-4-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 52942650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).