1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

C23H24N4 — CID 25093257

IUPAC1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1cc(C)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1
InChIInChI=1S/C23H24N4/c1-15-10-16(2)12-20(11-15)27-22-13-23(24-14-21(22)18(4)26-27)25-17(3)19-8-6-5-7-9-19/h5-14,17H,1-4H3,(H,24,25)/t17-/m0/s1
InChIKeyAPLADIXDVQYNTR-KRWDZBQOSA-N
MW356.47 g/mol
LogP5.52
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 25093257) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID25093257
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1cc(C)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1
InChIInChI=1S/C23H24N4/c1-15-10-16(2)12-20(11-15)27-22-13-23(24-14-21(22)18(4)26-27)25-17(3)19-8-6-5-7-9-19/h5-14,17H,1-4H3,(H,24,25)/t17-/m0/s1
InChIKeyAPLADIXDVQYNTR-KRWDZBQOSA-N
XLogP5.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine with MolForge

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Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Unc569
CID 53355503
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
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
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
3MB-PP1
CID 24865390
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 25093257) is 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is Cc1cc(C)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is APLADIXDVQYNTR-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4/c1-15-10-16(2)12-20(11-15)27-22-13-23(24-14-21(22)18(4)26-27)25-17(3)19-8-6-5-7-9-19/h5-14,17H,1-4H3,(H,24,25)/t17-/m0/s1.
What are the key properties of 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 356.47 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 25093257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).