N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C17H20N6OS — CID 137345430

IUPACN-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1n[nH]c2c1CCCC2)c1nnc(CSc2ccncc2)o1
InChIInChI=1S/C17H20N6OS/c1-23(10-15-13-4-2-3-5-14(13)19-20-15)17-22-21-16(24-17)11-25-12-6-8-18-9-7-12/h6-9H,2-5,10-11H2,1H3,(H,19,20)
InChIKeySUPWOTNCDDHEGV-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.00
Rot. Bonds6

About N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine

N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 137345430) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID137345430
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1n[nH]c2c1CCCC2)c1nnc(CSc2ccncc2)o1
InChIInChI=1S/C17H20N6OS/c1-23(10-15-13-4-2-3-5-14(13)19-20-15)17-22-21-16(24-17)11-25-12-6-8-18-9-7-12/h6-9H,2-5,10-11H2,1H3,(H,19,20)
InChIKeySUPWOTNCDDHEGV-UHFFFAOYSA-N
XLogP3.00
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 137341870
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 91828962
N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
CID 74233572
(2S)-2-(4-hydroxyphenyl)-2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]acetic acid
CID 97207894
N-benzyl-N-methyl-1-[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-amine
CID 137337235
(3S)-N-methyl-3-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine
CID 99957689
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 50967991
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 154920827
N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 77079827
[2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134697352
N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50968501
N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
CID 90650169

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 137345430) is N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine is CN(Cc1n[nH]c2c1CCCC2)c1nnc(CSc2ccncc2)o1.
What is the InChIKey of N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SUPWOTNCDDHEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-23(10-15-13-4-2-3-5-14(13)19-20-15)17-22-21-16(24-17)11-25-12-6-8-18-9-7-12/h6-9H,2-5,10-11H2,1H3,(H,19,20).
What are the key properties of N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 356.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137345430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).