11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

C19H21ClF3N5O2 — CID 156563933

IUPAC11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESO=C(NC1CCC2(CCCO2)CC1)N1CC(C(F)(F)F)c2c1cnc1cc(Cl)nn21
InChIInChI=1S/C19H21ClF3N5O2/c20-14-8-15-24-9-13-16(28(15)26-14)12(19(21,22)23)10-27(13)17(29)25-11-2-5-18(6-3-11)4-1-7-30-18/h8-9,11-12H,1-7,10H2,(H,25,29)
InChIKeyAZIFSEMVJASAAF-UHFFFAOYSA-N
MW443.86 g/mol
LogP4.05
Rot. Bonds1

About 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (PubChem CID 156563933) has the molecular formula C19H21ClF3N5O2 and a molecular weight of 443.86 g/mol. Its IUPAC name is 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.

Molecular Properties

Compound Name11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
PubChem CID156563933
Molecular FormulaC19H21ClF3N5O2
Molecular Weight443.86 g/mol
Exact Mass443.13
IUPAC Name11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESO=C(NC1CCC2(CCCO2)CC1)N1CC(C(F)(F)F)c2c1cnc1cc(Cl)nn21
InChIInChI=1S/C19H21ClF3N5O2/c20-14-8-15-24-9-13-16(28(15)26-14)12(19(21,22)23)10-27(13)17(29)25-11-2-5-18(6-3-11)4-1-7-30-18/h8-9,11-12H,1-7,10H2,(H,25,29)
InChIKeyAZIFSEMVJASAAF-UHFFFAOYSA-N
XLogP4.05
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide with MolForge

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Related Compounds

(3R)-11-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539576
2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 129072246
11-chloro-N-[5-methoxy-4-methyl-6-[(3S)-pyrrolidin-3-yl]oxy-2-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;formic acid
CID 156539337
(3R)-11-chloro-N-[4-(difluoromethoxy)-6-[(3S)-pyrrolidin-3-yl]oxy-2-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156540163
5-[[[(3R)-11-chloro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-5-yl]-hydroxymethyl]amino]-N-cyclopropyl-3-(difluoromethyl)pyridine-2-carboxamide
CID 156563453
N-cyclopropyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131650418
N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126668404
(3R)-11-chloro-3-methyl-3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539654
11-chloro-3-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxylic acid
CID 164600137
(3R)-N-[2-[(2S)-2-aminopropoxy]-6-methyl-4-pyridinyl]-11-chloro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539363
N-[5-(azetidin-3-yloxy)-1-(difluoromethyl)-6-oxo-3-pyridinyl]-11-chloro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 170661481
(3R)-11-chloro-N-[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156540124

Frequently Asked Questions

What is the IUPAC name of 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The IUPAC name of 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (CID 156563933) is 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.
What is the SMILES notation for 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The canonical SMILES for 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is O=C(NC1CCC2(CCCO2)CC1)N1CC(C(F)(F)F)c2c1cnc1cc(Cl)nn21.
What is the InChIKey of 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The InChIKey is AZIFSEMVJASAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N5O2/c20-14-8-15-24-9-13-16(28(15)26-14)12(19(21,22)23)10-27(13)17(29)25-11-2-5-18(6-3-11)4-1-7-30-18/h8-9,11-12H,1-7,10H2,(H,25,29).
What are the key properties of 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide has a molecular weight of 443.86 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is sourced from PubChem (CID 156563933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).