N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine

C21H22N6S — CID 170969433

IUPACN-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine
SMILESCCc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C3CC3)ccn2)c1
InChIInChI=1S/C21H22N6S/c1-3-14-4-7-17-11-23-26(2)21(17)20(14)25-28-18-12-24-27(13-18)19-10-16(8-9-22-19)15-5-6-15/h4,7-13,15,25H,3,5-6H2,1-2H3
InChIKeyPOXSYBAIRKQTJI-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.71
Rot. Bonds6

About N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine

N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine (PubChem CID 170969433) has the molecular formula C21H22N6S and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine.

Molecular Properties

Compound NameN-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine
PubChem CID170969433
Molecular FormulaC21H22N6S
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC NameN-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine
SMILESCCc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C3CC3)ccn2)c1
InChIInChI=1S/C21H22N6S/c1-3-14-4-7-17-11-23-26(2)21(17)20(14)25-28-18-12-24-27(13-18)19-10-16(8-9-22-19)15-5-6-15/h4,7-13,15,25H,3,5-6H2,1-2H3
InChIKeyPOXSYBAIRKQTJI-UHFFFAOYSA-N
XLogP4.71
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
1-(4-cyclopropyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969364
6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine
CID 170964638
[6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 170969441
1-[4-[3-(methoxymethyl)cyclobutyl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 174210518
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine
CID 170964934
N-(6-ethyl-1-methylindazol-7-yl)acetamide
CID 167348397
N-(hydroxymethyl)-1-[4-(3-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969200
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-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969157

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine?
The IUPAC name of N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine (CID 170969433) is N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine.
What is the SMILES notation for N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine?
The canonical SMILES for N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine is CCc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C3CC3)ccn2)c1.
What is the InChIKey of N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine?
The InChIKey is POXSYBAIRKQTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S/c1-3-14-4-7-17-11-23-26(2)21(17)20(14)25-28-18-12-24-27(13-18)19-10-16(8-9-22-19)15-5-6-15/h4,7-13,15,25H,3,5-6H2,1-2H3.
What are the key properties of N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine?
N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine has a molecular weight of 390.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine is sourced from PubChem (CID 170969433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).