2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide

C19H26N4O2S — CID 124809236

IUPAC2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide
SMILESCc1ccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)s1
InChIInChI=1S/C19H26N4O2S/c1-14-3-4-16(26-14)11-23-12-19(13-23)15(7-10-25-19)5-8-20-18(24)17-6-9-21-22(17)2/h3-4,6,9,15H,5,7-8,10-13H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyJXSJKGGZKYYWTQ-HNNXBMFYSA-N
MW374.51 g/mol
LogP2.20
Rot. Bonds6

About 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide

2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 124809236) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide
PubChem CID124809236
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide
SMILESCc1ccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)s1
InChIInChI=1S/C19H26N4O2S/c1-14-3-4-16(26-14)11-23-12-19(13-23)15(7-10-25-19)5-8-20-18(24)17-6-9-21-22(17)2/h3-4,6,9,15H,5,7-8,10-13H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyJXSJKGGZKYYWTQ-HNNXBMFYSA-N
XLogP2.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide (CID 124809236) is 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide is Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)s1.
What is the InChIKey of 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide?
The InChIKey is JXSJKGGZKYYWTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-3-4-16(26-14)11-23-12-19(13-23)15(7-10-25-19)5-8-20-18(24)17-6-9-21-22(17)2/h3-4,6,9,15H,5,7-8,10-13H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide?
2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 124809236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).