8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide

C18H23ClN4O2 — CID 134410240

IUPAC8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCNC(=O)N1CC2CCC(C1)C2CC(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C18H23ClN4O2/c1-20-18(25)23-8-10-2-3-11(9-23)14(10)6-16(24)15-5-13(19)4-12-7-21-22-17(12)15/h4-5,7,10-11,14,16,24H,2-3,6,8-9H2,1H3,(H,20,25)(H,21,22)
InChIKeyTWCCERGBKBLNAE-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.94
Rot. Bonds3

About 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide

8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 134410240) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID134410240
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCNC(=O)N1CC2CCC(C1)C2CC(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C18H23ClN4O2/c1-20-18(25)23-8-10-2-3-11(9-23)14(10)6-16(24)15-5-13(19)4-12-7-21-22-17(12)15/h4-5,7,10-11,14,16,24H,2-3,6,8-9H2,1H3,(H,20,25)(H,21,22)
InChIKeyTWCCERGBKBLNAE-UHFFFAOYSA-N
XLogP2.94
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 134410240) is 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide is CNC(=O)N1CC2CCC(C1)C2CC(O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is TWCCERGBKBLNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-20-18(25)23-8-10-2-3-11(9-23)14(10)6-16(24)15-5-13(19)4-12-7-21-22-17(12)15/h4-5,7,10-11,14,16,24H,2-3,6,8-9H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide?
8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-N-methyl-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 134410240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).