N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine

C22H23N7OS — CID 170968691

IUPACN-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine
SMILESCOc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(N3CC4CC3C4)ccn2)c1
InChIInChI=1S/C22H23N7OS/c1-27-22-15(10-24-27)3-4-19(30-2)21(22)26-31-18-11-25-29(13-18)20-9-16(5-6-23-20)28-12-14-7-17(28)8-14/h3-6,9-11,13-14,17,26H,7-8,12H2,1-2H3
InChIKeyFCJXMOXYGLFPDR-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.88
Rot. Bonds6

About N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine

N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine (PubChem CID 170968691) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine.

Molecular Properties

Compound NameN-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine
PubChem CID170968691
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC NameN-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine
SMILESCOc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(N3CC4CC3C4)ccn2)c1
InChIInChI=1S/C22H23N7OS/c1-27-22-15(10-24-27)3-4-19(30-2)21(22)26-31-18-11-25-29(13-18)20-9-16(5-6-23-20)28-12-14-7-17(28)8-14/h3-6,9-11,13-14,17,26H,7-8,12H2,1-2H3
InChIKeyFCJXMOXYGLFPDR-UHFFFAOYSA-N
XLogP3.88
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol
CID 170968757
[6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 170969441
N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine
CID 170969433
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 175679500
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
1-[4-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969092
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine
CID 170964934
1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide
CID 171918766
1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969394
1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one
CID 170964719
1-[4-(1-hydroxy-3-methylcyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969139

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine?
The IUPAC name of N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine (CID 170968691) is N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine.
What is the SMILES notation for N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine?
The canonical SMILES for N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine is COc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(N3CC4CC3C4)ccn2)c1.
What is the InChIKey of N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine?
The InChIKey is FCJXMOXYGLFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-27-22-15(10-24-27)3-4-19(30-2)21(22)26-31-18-11-25-29(13-18)20-9-16(5-6-23-20)28-12-14-7-17(28)8-14/h3-6,9-11,13-14,17,26H,7-8,12H2,1-2H3.
What are the key properties of N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine?
N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine has a molecular weight of 433.54 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-2-pyridinyl]pyrazol-4-yl]sulfanyl-6-methoxy-1-methylindazol-7-amine is sourced from PubChem (CID 170968691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).