1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C18H27N3O2 — CID 126434580

IUPAC1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c2c1CCCC2
InChIInChI=1S/C18H27N3O2/c1-21-15-8-4-3-7-14(15)16(20-21)17(22)19-13-11-18(23-12-13)9-5-2-6-10-18/h13H,2-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyMURQEDCWUWHDBX-ZDUSSCGKSA-N
MW317.43 g/mol
LogP2.52
Rot. Bonds2

About 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 126434580) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID126434580
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c2c1CCCC2
InChIInChI=1S/C18H27N3O2/c1-21-15-8-4-3-7-14(15)16(20-21)17(22)19-13-11-18(23-12-13)9-5-2-6-10-18/h13H,2-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyMURQEDCWUWHDBX-ZDUSSCGKSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 126434580) is 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c2c1CCCC2.
What is the InChIKey of 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is MURQEDCWUWHDBX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21-15-8-4-3-7-14(15)16(20-21)17(22)19-13-11-18(23-12-13)9-5-2-6-10-18/h13H,2-12H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 126434580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).