3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

C22H22N4 — CID 25093244

IUPAC3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1ccccc1-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc21
InChIInChI=1S/C22H22N4/c1-15-9-7-8-12-20(15)26-21-13-22(23-14-19(21)17(3)25-26)24-16(2)18-10-5-4-6-11-18/h4-14,16H,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyLLHUMXQCBQCMPT-INIZCTEOSA-N
MW342.45 g/mol
LogP5.21
Rot. Bonds4

About 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 25093244) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID25093244
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1ccccc1-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc21
InChIInChI=1S/C22H22N4/c1-15-9-7-8-12-20(15)26-21-13-22(23-14-19(21)17(3)25-26)24-16(2)18-10-5-4-6-11-18/h4-14,16H,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyLLHUMXQCBQCMPT-INIZCTEOSA-N
XLogP5.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 25093244) is 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is Cc1ccccc1-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc21.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is LLHUMXQCBQCMPT-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-9-7-8-12-20(15)26-21-13-22(23-14-19(21)17(3)25-26)24-16(2)18-10-5-4-6-11-18/h4-14,16H,1-3H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 342.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 25093244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).