3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane

C15H18N4S — CID 157296879

IUPAC3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane
SMILESCc1[nH]nc2ccnc(N[C@@H](C)c3ccccc3)c12.S
InChIInChI=1S/C15H16N4.H2S/c1-10(12-6-4-3-5-7-12)17-15-14-11(2)18-19-13(14)8-9-16-15;/h3-10H,1-2H3,(H,16,17)(H,18,19);1H2/t10-;/m0./s1
InChIKeyBBLHHEUCWLNHIJ-PPHPATTJSA-N
MW286.40 g/mol
LogP3.55
Rot. Bonds3

About 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane

3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane (PubChem CID 157296879) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane
PubChem CID157296879
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane
SMILESCc1[nH]nc2ccnc(N[C@@H](C)c3ccccc3)c12.S
InChIInChI=1S/C15H16N4.H2S/c1-10(12-6-4-3-5-7-12)17-15-14-11(2)18-19-13(14)8-9-16-15;/h3-10H,1-2H3,(H,16,17)(H,18,19);1H2/t10-;/m0./s1
InChIKeyBBLHHEUCWLNHIJ-PPHPATTJSA-N
XLogP3.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane?
The IUPAC name of 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane (CID 157296879) is 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane.
What is the SMILES notation for 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane?
The canonical SMILES for 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane is Cc1[nH]nc2ccnc(N[C@@H](C)c3ccccc3)c12.S.
What is the InChIKey of 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane?
The InChIKey is BBLHHEUCWLNHIJ-PPHPATTJSA-N. The full InChI is InChI=1S/C15H16N4.H2S/c1-10(12-6-4-3-5-7-12)17-15-14-11(2)18-19-13(14)8-9-16-15;/h3-10H,1-2H3,(H,16,17)(H,18,19);1H2/t10-;/m0./s1.
What are the key properties of 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane?
3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane has a molecular weight of 286.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane is sourced from PubChem (CID 157296879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).