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

C21H19ClN4 — CID 24971415

IUPAC1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cccc(Cl)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C21H19ClN4/c1-14(16-7-4-3-5-8-16)24-21-12-20-19(13-23-21)15(2)25-26(20)18-10-6-9-17(22)11-18/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyNTAIRXFACXVUQO-AWEZNQCLSA-N
MW362.86 g/mol
LogP5.56
Rot. Bonds4

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

1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 24971415) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID24971415
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC Name1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cccc(Cl)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C21H19ClN4/c1-14(16-7-4-3-5-8-16)24-21-12-20-19(13-23-21)15(2)25-26(20)18-10-6-9-17(22)11-18/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyNTAIRXFACXVUQO-AWEZNQCLSA-N
XLogP5.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 24971415) is 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is Cc1nn(-c2cccc(Cl)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is NTAIRXFACXVUQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19ClN4/c1-14(16-7-4-3-5-8-16)24-21-12-20-19(13-23-21)15(2)25-26(20)18-10-6-9-17(22)11-18/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 362.86 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 24971415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).