(1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine

C16H19N5S — CID 163278524

IUPAC(1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine
SMILESCCN[C@H](C)c1cc(-c2cc3ccnn3c(SC)n2)ccn1
InChIInChI=1S/C16H19N5S/c1-4-17-11(2)14-9-12(5-7-18-14)15-10-13-6-8-19-21(13)16(20-15)22-3/h5-11,17H,4H2,1-3H3/t11-/m1/s1
InChIKeyZWSLZIPHCKQAMH-LLVKDONJSA-N
MW313.43 g/mol
LogP3.18
Rot. Bonds5

About (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine

(1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine (PubChem CID 163278524) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine
PubChem CID163278524
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name(1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine
SMILESCCN[C@H](C)c1cc(-c2cc3ccnn3c(SC)n2)ccn1
InChIInChI=1S/C16H19N5S/c1-4-17-11(2)14-9-12(5-7-18-14)15-10-13-6-8-19-21(13)16(20-15)22-3/h5-11,17H,4H2,1-3H3/t11-/m1/s1
InChIKeyZWSLZIPHCKQAMH-LLVKDONJSA-N
XLogP3.18
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine with MolForge

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Related Compounds

PP121
CID 24905142
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359

Frequently Asked Questions

What is the IUPAC name of (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine (CID 163278524) is (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine is CCN[C@H](C)c1cc(-c2cc3ccnn3c(SC)n2)ccn1.
What is the InChIKey of (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine?
The InChIKey is ZWSLZIPHCKQAMH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5S/c1-4-17-11(2)14-9-12(5-7-18-14)15-10-13-6-8-19-21(13)16(20-15)22-3/h5-11,17H,4H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine?
(1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine has a molecular weight of 313.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-ethyl-1-[4-(7-methylsulfanylpyrazolo[1,5-c]pyrimidin-5-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 163278524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).