2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine

C12H17N3S — CID 115757570

IUPAC2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
SMILESCSC(C)CNCc1cnn2ccccc12
InChIInChI=1S/C12H17N3S/c1-10(16-2)7-13-8-11-9-14-15-6-4-3-5-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyNIHFNTBIZCUJRE-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.18
Rot. Bonds5

About 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine

2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine (PubChem CID 115757570) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
PubChem CID115757570
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
SMILESCSC(C)CNCc1cnn2ccccc12
InChIInChI=1S/C12H17N3S/c1-10(16-2)7-13-8-11-9-14-15-6-4-3-5-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyNIHFNTBIZCUJRE-UHFFFAOYSA-N
XLogP2.18
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dipropyl-(S)-1,2,3,4-tetrahydro-pyrido[1,2-b]indazol-2-yl-amine
CID 10084583
2-(1H-pyrazol-4-yl)pyridine
CID 3578981
3-Propyl-1,2,3,4-tetrahydro-3,8a,9-triaza-fluorene
CID 44316315
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685
N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
CID 6899954
Indazol-2-yl-propyl-pyridin-4-yl-amine
CID 14422827
3-(4-Methyl-piperazin-1-ylmethyl)-pyrazolo[1,5-a]pyridine
CID 44264641
2-(4-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813486
2-(5-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813488
6-Butyl-2-phenylpyrazolo[4,3-c]pyridine
CID 145983089
4-Methyl-6-pentyl-2-phenylpyrazolo[4,3-c]pyridine
CID 145985045
6-Butyl-4-methyl-2-phenylpyrazolo[4,3-c]pyridine
CID 145985071

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine (CID 115757570) is 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine is CSC(C)CNCc1cnn2ccccc12.
What is the InChIKey of 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is NIHFNTBIZCUJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10(16-2)7-13-8-11-9-14-15-6-4-3-5-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine?
2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115757570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).