N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide

C24H34N6O2 — CID 147131950

IUPACN-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESC=NN1CCOC(CN2C3CCC2CC(NC(=O)c2nn(C(C)C)c4ccccc24)C3)C1
InChIInChI=1S/C24H34N6O2/c1-16(2)30-22-7-5-4-6-21(22)23(27-30)24(31)26-17-12-18-8-9-19(13-17)29(18)15-20-14-28(25-3)10-11-32-20/h4-7,16-20H,3,8-15H2,1-2H3,(H,26,31)
InChIKeyBQJWPCBVENFHKF-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.66
Rot. Bonds6

About N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 147131950) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID147131950
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC NameN-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESC=NN1CCOC(CN2C3CCC2CC(NC(=O)c2nn(C(C)C)c4ccccc24)C3)C1
InChIInChI=1S/C24H34N6O2/c1-16(2)30-22-7-5-4-6-21(22)23(27-30)24(31)26-17-12-18-8-9-19(13-17)29(18)15-20-14-28(25-3)10-11-32-20/h4-7,16-20H,3,8-15H2,1-2H3,(H,26,31)
InChIKeyBQJWPCBVENFHKF-UHFFFAOYSA-N
XLogP2.66
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
N-[(1R,5S)-8-[2-[methyl-(1-methylsulfonylpyrrolidin-3-yl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11409745
N-[(1R,5S)-8-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11168289
N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67337795
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171354359
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
(2S,4S)-2-[2-(dimethylamino)-2-oxoethyl]-4-[(1-propan-2-ylindazole-3-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 67270630
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
N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829648
1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
CID 67672093

Frequently Asked Questions

What is the IUPAC name of N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 147131950) is N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide is C=NN1CCOC(CN2C3CCC2CC(NC(=O)c2nn(C(C)C)c4ccccc24)C3)C1.
What is the InChIKey of N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is BQJWPCBVENFHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-16(2)30-22-7-5-4-6-21(22)23(27-30)24(31)26-17-12-18-8-9-19(13-17)29(18)15-20-14-28(25-3)10-11-32-20/h4-7,16-20H,3,8-15H2,1-2H3,(H,26,31).
What are the key properties of N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 147131950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).