N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine

C16H16N4OS — CID 166129333

IUPACN-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine
SMILESCOc1cc(SC2CC2)cnc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C16H16N4OS/c1-21-14-8-11(22-10-6-7-10)9-17-16(14)18-15-12-4-2-3-5-13(12)19-20-15/h2-5,8-10H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyHSZPGNPMBQUSJQ-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.96
Rot. Bonds5

About N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine

N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine (PubChem CID 166129333) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine
PubChem CID166129333
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine
SMILESCOc1cc(SC2CC2)cnc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C16H16N4OS/c1-21-14-8-11(22-10-6-7-10)9-17-16(14)18-15-12-4-2-3-5-13(12)19-20-15/h2-5,8-10H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyHSZPGNPMBQUSJQ-UHFFFAOYSA-N
XLogP3.96
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxypyridazin-3-yl)-1H-indazol-3-amine
CID 166129517
N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287
N-(2-methoxy-5-methylphenyl)-1H-indazol-3-amine
CID 166128556
N-(5-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methylphenyl)cyclopropanecarboxamide
CID 166129496
N-[5-methoxy-2-(oxetan-3-yl)pyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129181
N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128826
N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine
CID 10132590
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
CID 166129289
N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine
CID 166128929
N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine
CID 20604154
N-(methoxymethyl)-1H-indazol-3-amine
CID 142778933

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine?
The IUPAC name of N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine (CID 166129333) is N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine.
What is the SMILES notation for N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine?
The canonical SMILES for N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine is COc1cc(SC2CC2)cnc1Nc1n[nH]c2ccccc12.
What is the InChIKey of N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine?
The InChIKey is HSZPGNPMBQUSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-21-14-8-11(22-10-6-7-10)9-17-16(14)18-15-12-4-2-3-5-13(12)19-20-15/h2-5,8-10H,6-7H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine?
N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine has a molecular weight of 312.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine is sourced from PubChem (CID 166129333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).