N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride

C19H23ClFN3 — CID 11595439

IUPACN-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride
SMILESCc1c(C)n(C(C)C)c2ccnc(NCc3ccc(F)cc3)c12.Cl
InChIInChI=1S/C19H22FN3.ClH/c1-12(2)23-14(4)13(3)18-17(23)9-10-21-19(18)22-11-15-5-7-16(20)8-6-15;/h5-10,12H,11H2,1-4H3,(H,21,22);1H
InChIKeyJZTSVXBCKAARGM-UHFFFAOYSA-N
MW347.87 g/mol
LogP5.41
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride

N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride (PubChem CID 11595439) has the molecular formula C19H23ClFN3 and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride
PubChem CID11595439
Molecular FormulaC19H23ClFN3
Molecular Weight347.87 g/mol
Exact Mass347.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride
SMILESCc1c(C)n(C(C)C)c2ccnc(NCc3ccc(F)cc3)c12.Cl
InChIInChI=1S/C19H22FN3.ClH/c1-12(2)23-14(4)13(3)18-17(23)9-10-21-19(18)22-11-15-5-7-16(20)8-6-15;/h5-10,12H,11H2,1-4H3,(H,21,22);1H
InChIKeyJZTSVXBCKAARGM-UHFFFAOYSA-N
XLogP5.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.87
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride (CID 11595439) is N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride is Cc1c(C)n(C(C)C)c2ccnc(NCc3ccc(F)cc3)c12.Cl.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride?
The InChIKey is JZTSVXBCKAARGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3.ClH/c1-12(2)23-14(4)13(3)18-17(23)9-10-21-19(18)22-11-15-5-7-16(20)8-6-15;/h5-10,12H,11H2,1-4H3,(H,21,22);1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride?
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 11595439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).