N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine

C21H23N5OS — CID 144988155

IUPACN-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine
SMILESCc1cc(Nc2cc(Sc3ccccc3)cc(N3CCC4(COC4)C3)n2)n[nH]1
InChIInChI=1S/C21H23N5OS/c1-15-9-19(25-24-15)22-18-10-17(28-16-5-3-2-4-6-16)11-20(23-18)26-8-7-21(12-26)13-27-14-21/h2-6,9-11H,7-8,12-14H2,1H3,(H2,22,23,24,25)
InChIKeyCHLWLDQZADIREV-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.23
Rot. Bonds5

About N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine

N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine (PubChem CID 144988155) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine
PubChem CID144988155
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine
SMILESCc1cc(Nc2cc(Sc3ccccc3)cc(N3CCC4(COC4)C3)n2)n[nH]1
InChIInChI=1S/C21H23N5OS/c1-15-9-19(25-24-15)22-18-10-17(28-16-5-3-2-4-6-16)11-20(23-18)26-8-7-21(12-26)13-27-14-21/h2-6,9-11H,7-8,12-14H2,1H3,(H2,22,23,24,25)
InChIKeyCHLWLDQZADIREV-UHFFFAOYSA-N
XLogP4.23
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
CID 144988154
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CID 138633763
2-(4-hydrazinylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
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6-(4,4-dimethylpiperazin-4-ium-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethenyl)pyrimidin-4-amine
CID 91155794
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
CID 144988150
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 20604303
6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen
CID 159414488
(2S,3S)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 66576993
2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine
CID 144988291
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 123636824
methane;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 161231504
N-[5-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-pyridinyl]-2-chlorobenzamide
CID 59420737

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine (CID 144988155) is N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine is Cc1cc(Nc2cc(Sc3ccccc3)cc(N3CCC4(COC4)C3)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine?
The InChIKey is CHLWLDQZADIREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-15-9-19(25-24-15)22-18-10-17(28-16-5-3-2-4-6-16)11-20(23-18)26-8-7-21(12-26)13-27-14-21/h2-6,9-11H,7-8,12-14H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine?
N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine has a molecular weight of 393.52 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine is sourced from PubChem (CID 144988155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).