1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide

C19H26N4O2 — CID 67672093

IUPAC1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
SMILESCC[C@H](C)n1nc(C(=O)NC2CC3COCC(C2)N3)c2ccccc21
InChIInChI=1S/C19H26N4O2/c1-3-12(2)23-17-7-5-4-6-16(17)18(22-23)19(24)21-13-8-14-10-25-11-15(9-13)20-14/h4-7,12-15,20H,3,8-11H2,1-2H3,(H,21,24)/t12-,13?,14?,15?/m0/s1
InChIKeyRNEACAAJJMKMJH-NAOUJUTFSA-N
MW342.44 g/mol
LogP2.26
Rot. Bonds4

About 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide

1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide (PubChem CID 67672093) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
PubChem CID67672093
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
SMILESCC[C@H](C)n1nc(C(=O)NC2CC3COCC(C2)N3)c2ccccc21
InChIInChI=1S/C19H26N4O2/c1-3-12(2)23-17-7-5-4-6-16(17)18(22-23)19(24)21-13-8-14-10-25-11-15(9-13)20-14/h4-7,12-15,20H,3,8-11H2,1-2H3,(H,21,24)/t12-,13?,14?,15?/m0/s1
InChIKeyRNEACAAJJMKMJH-NAOUJUTFSA-N
XLogP2.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-butan-2-yl]-N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67673528
1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide
CID 67672946
N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(2-methylpropyl)indazole-3-carboxamide
CID 67671600
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119458817
N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 69085690
N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829633
N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829648
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171354359
N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67269772
N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 159837138

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The IUPAC name of 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide (CID 67672093) is 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The canonical SMILES for 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide is CC[C@H](C)n1nc(C(=O)NC2CC3COCC(C2)N3)c2ccccc21.
What is the InChIKey of 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The InChIKey is RNEACAAJJMKMJH-NAOUJUTFSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-12(2)23-17-7-5-4-6-16(17)18(22-23)19(24)21-13-8-14-10-25-11-15(9-13)20-14/h4-7,12-15,20H,3,8-11H2,1-2H3,(H,21,24)/t12-,13?,14?,15?/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide is sourced from PubChem (CID 67672093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).