(5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

C19H23N5O3 — CID 125155802

IUPAC(5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1cc(NC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)n(-c2ccccc2C)n1
InChIInChI=1S/C19H23N5O3/c1-13-6-4-5-7-15(13)24-16(10-14(2)21-24)20-17(25)23-9-8-19(12-23)11-22(3)18(26)27-19/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,25)/t19-/m1/s1
InChIKeyIMCOGEVKLWOCJO-LJQANCHMSA-N
MW369.43 g/mol
LogP2.55
Rot. Bonds2

About (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

(5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 125155802) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID125155802
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1cc(NC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)n(-c2ccccc2C)n1
InChIInChI=1S/C19H23N5O3/c1-13-6-4-5-7-15(13)24-16(10-14(2)21-24)20-17(25)23-9-8-19(12-23)11-22(3)18(26)27-19/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,25)/t19-/m1/s1
InChIKeyIMCOGEVKLWOCJO-LJQANCHMSA-N
XLogP2.55
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (CID 125155802) is (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is Cc1cc(NC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)n(-c2ccccc2C)n1.
What is the InChIKey of (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is IMCOGEVKLWOCJO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-6-4-5-7-15(13)24-16(10-14(2)21-24)20-17(25)23-9-8-19(12-23)11-22(3)18(26)27-19/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,25)/t19-/m1/s1.
What are the key properties of (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
(5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 125155802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).