5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide

C18H24N4O2 — CID 67274033

IUPAC5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4C)c2c1
InChIInChI=1S/C18H24N4O2/c1-21-11-4-5-12(21)9-13(8-11)22(2)18(23)17-15-10-14(24-3)6-7-16(15)19-20-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20)/t11-,12+,13?
InChIKeyRVMVBMIRQDSNJQ-FUNVUKJBSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds3

About 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide

5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide (PubChem CID 67274033) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
PubChem CID67274033
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4C)c2c1
InChIInChI=1S/C18H24N4O2/c1-21-11-4-5-12(21)9-13(8-11)22(2)18(23)17-15-10-14(24-3)6-7-16(15)19-20-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20)/t11-,12+,13?
InChIKeyRVMVBMIRQDSNJQ-FUNVUKJBSA-N
XLogP2.27
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide (CID 67274033) is 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4C)c2c1.
What is the InChIKey of 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is RVMVBMIRQDSNJQ-FUNVUKJBSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-11-4-5-12(21)9-13(8-11)22(2)18(23)17-15-10-14(24-3)6-7-16(15)19-20-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20)/t11-,12+,13?.
What are the key properties of 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide?
5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67274033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).