N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine

C20H20N6OS — CID 170964934

IUPACN-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine
SMILESCOc1ccc2cnn(C)c2c1NSc1ccc(-n2ccc(C3CC3)n2)nc1
InChIInChI=1S/C20H20N6OS/c1-25-20-14(11-22-25)5-7-17(27-2)19(20)24-28-15-6-8-18(21-12-15)26-10-9-16(23-26)13-3-4-13/h5-13,24H,3-4H2,1-2H3
InChIKeyCLADZACVOZTEGJ-UHFFFAOYSA-N
MW392.49 g/mol
LogP4.16
Rot. Bonds6

About N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine

N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine (PubChem CID 170964934) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine.

Molecular Properties

Compound NameN-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine
PubChem CID170964934
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC NameN-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine
SMILESCOc1ccc2cnn(C)c2c1NSc1ccc(-n2ccc(C3CC3)n2)nc1
InChIInChI=1S/C20H20N6OS/c1-25-20-14(11-22-25)5-7-17(27-2)19(20)24-28-15-6-8-18(21-12-15)26-10-9-16(23-26)13-3-4-13/h5-13,24H,3-4H2,1-2H3
InChIKeyCLADZACVOZTEGJ-UHFFFAOYSA-N
XLogP4.16
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one
CID 170964719
6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine
CID 170964674
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
1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol
CID 170968757
N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine
CID 170969433
6-(4-chloropyrazol-1-yl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170965058
6-[4-(1-hydroxyethyl)pyrazol-1-yl]-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170964825
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55078600
6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbothioamide
CID 62488145
7-bromo-6-methoxy-1-methylindazole
CID 171662295
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502
6-(3-cyclopropylpyrazol-1-yl)-N-methylpyrazin-2-amine
CID 80868478

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine?
The IUPAC name of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine (CID 170964934) is N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine.
What is the SMILES notation for N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine?
The canonical SMILES for N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine is COc1ccc2cnn(C)c2c1NSc1ccc(-n2ccc(C3CC3)n2)nc1.
What is the InChIKey of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine?
The InChIKey is CLADZACVOZTEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-25-20-14(11-22-25)5-7-17(27-2)19(20)24-28-15-6-8-18(21-12-15)26-10-9-16(23-26)13-3-4-13/h5-13,24H,3-4H2,1-2H3.
What are the key properties of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine?
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine has a molecular weight of 392.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine is sourced from PubChem (CID 170964934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).