1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol

C22H24N6O2S — CID 170968757

IUPAC1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol
SMILESCOc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C3(O)CC(C)C3)ccn2)c1
InChIInChI=1S/C22H24N6O2S/c1-14-9-22(29,10-14)16-6-7-23-19(8-16)28-13-17(12-25-28)31-26-20-18(30-3)5-4-15-11-24-27(2)21(15)20/h4-8,11-14,26,29H,9-10H2,1-3H3
InChIKeyWNOYHLJEOOXIGE-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.90
Rot. Bonds6

About 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol

1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol (PubChem CID 170968757) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol
PubChem CID170968757
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol
SMILESCOc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C3(O)CC(C)C3)ccn2)c1
InChIInChI=1S/C22H24N6O2S/c1-14-9-22(29,10-14)16-6-7-23-19(8-16)28-13-17(12-25-28)31-26-20-18(30-3)5-4-15-11-24-27(2)21(15)20/h4-8,11-14,26,29H,9-10H2,1-3H3
InChIKeyWNOYHLJEOOXIGE-UHFFFAOYSA-N
XLogP3.90
TPSA90.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
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-[4-(1-hydroxy-3-methylcyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969139
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
N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine
CID 170969433
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 175679500
1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 174207428
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine
CID 170964934
1-[4-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969092
1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one
CID 170964719
1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide
CID 171918766
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502
1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969394

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol?
The IUPAC name of 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol (CID 170968757) is 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol is COc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C3(O)CC(C)C3)ccn2)c1.
What is the InChIKey of 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol?
The InChIKey is WNOYHLJEOOXIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-14-9-22(29,10-14)16-6-7-23-19(8-16)28-13-17(12-25-28)31-26-20-18(30-3)5-4-15-11-24-27(2)21(15)20/h4-8,11-14,26,29H,9-10H2,1-3H3.
What are the key properties of 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol?
1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol has a molecular weight of 436.54 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 170968757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).