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

C22H22N4O — CID 25093248

IUPAC1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCOc1cccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1
InChIInChI=1S/C22H22N4O/c1-15(17-8-5-4-6-9-17)24-22-13-21-20(14-23-22)16(2)25-26(21)18-10-7-11-19(12-18)27-3/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyAVCWXYCDBRFSPG-HNNXBMFYSA-N
MW358.45 g/mol
LogP4.91
Rot. Bonds5

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

1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 25093248) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID25093248
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCOc1cccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1
InChIInChI=1S/C22H22N4O/c1-15(17-8-5-4-6-9-17)24-22-13-21-20(14-23-22)16(2)25-26(21)18-10-7-11-19(12-18)27-3/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyAVCWXYCDBRFSPG-HNNXBMFYSA-N
XLogP4.91
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 25093248) is 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is COc1cccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is AVCWXYCDBRFSPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15(17-8-5-4-6-9-17)24-22-13-21-20(14-23-22)16(2)25-26(21)18-10-7-11-19(12-18)27-3/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 358.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 25093248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).