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

C23H25N5 — CID 25093255

IUPAC1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cccc(N(C)C)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C23H25N5/c1-16(18-9-6-5-7-10-18)25-23-14-22-21(15-24-23)17(2)26-28(22)20-12-8-11-19(13-20)27(3)4/h5-16H,1-4H3,(H,24,25)/t16-/m0/s1
InChIKeyYBCXNIYSNJHIKZ-INIZCTEOSA-N
MW371.49 g/mol
LogP4.97
Rot. Bonds5

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

1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 25093255) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID25093255
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cccc(N(C)C)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C23H25N5/c1-16(18-9-6-5-7-10-18)25-23-14-22-21(15-24-23)17(2)26-28(22)20-12-8-11-19(13-20)27(3)4/h5-16H,1-4H3,(H,24,25)/t16-/m0/s1
InChIKeyYBCXNIYSNJHIKZ-INIZCTEOSA-N
XLogP4.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 25093255) is 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is Cc1nn(-c2cccc(N(C)C)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is YBCXNIYSNJHIKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N5/c1-16(18-9-6-5-7-10-18)25-23-14-22-21(15-24-23)17(2)26-28(22)20-12-8-11-19(13-20)27(3)4/h5-16H,1-4H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 371.49 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 25093255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).