2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide

C23H31FN4O2 — CID 45165529

IUPAC2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC1CCC2(CCN(Cc3ccccc3F)CC2)O1
InChIInChI=1S/C23H31FN4O2/c1-3-28-21(14-17(2)26-28)22(29)25-15-19-8-9-23(30-19)10-12-27(13-11-23)16-18-6-4-5-7-20(18)24/h4-7,14,19H,3,8-13,15-16H2,1-2H3,(H,25,29)
InChIKeyCERYXQRXPQVOGY-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.29
Rot. Bonds6

About 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide (PubChem CID 45165529) has the molecular formula C23H31FN4O2 and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide
PubChem CID45165529
Molecular FormulaC23H31FN4O2
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC Name2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC1CCC2(CCN(Cc3ccccc3F)CC2)O1
InChIInChI=1S/C23H31FN4O2/c1-3-28-21(14-17(2)26-28)22(29)25-15-19-8-9-23(30-19)10-12-27(13-11-23)16-18-6-4-5-7-20(18)24/h4-7,14,19H,3,8-13,15-16H2,1-2H3,(H,25,29)
InChIKeyCERYXQRXPQVOGY-UHFFFAOYSA-N
XLogP3.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42379776
(2R)-N-[[(2S)-8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-phenoxypropanamide
CID 42318491
N-[[(2R)-8-[(2,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 42213678
3-(2,6-difluorophenyl)-N-[[8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
CID 74793489
N-[[8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 45166387
(E)-3-(3,4-difluorophenyl)-N-[[(2R)-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
CID 42246274
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 45210366
N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45198123
2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
2-(3-fluorophenyl)-N-[[(2R)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 125161801
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]but-3-enamide
CID 45209586

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide (CID 45165529) is 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC1CCC2(CCN(Cc3ccccc3F)CC2)O1.
What is the InChIKey of 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is CERYXQRXPQVOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O2/c1-3-28-21(14-17(2)26-28)22(29)25-15-19-8-9-23(30-19)10-12-27(13-11-23)16-18-6-4-5-7-20(18)24/h4-7,14,19H,3,8-13,15-16H2,1-2H3,(H,25,29).
What are the key properties of 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 45165529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).