3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine

C23H22FN3 — CID 11524069

IUPAC3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine
SMILESCc1c(Cc2ccccc2)c2c(NCc3ccc(F)cc3)nccc2n1C
InChIInChI=1S/C23H22FN3/c1-16-20(14-17-6-4-3-5-7-17)22-21(27(16)2)12-13-25-23(22)26-15-18-8-10-19(24)11-9-18/h3-13H,14-15H2,1-2H3,(H,25,26)
InChIKeyZGCUNEBHIICASZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.22
Rot. Bonds5

About 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine

3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine (PubChem CID 11524069) has the molecular formula C23H22FN3 and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine
PubChem CID11524069
Molecular FormulaC23H22FN3
Molecular Weight359.45 g/mol
Exact Mass359.18
IUPAC Name3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine
SMILESCc1c(Cc2ccccc2)c2c(NCc3ccc(F)cc3)nccc2n1C
InChIInChI=1S/C23H22FN3/c1-16-20(14-17-6-4-3-5-7-17)22-21(27(16)2)12-13-25-23(22)26-15-18-8-10-19(24)11-9-18/h3-13H,14-15H2,1-2H3,(H,25,26)
InChIKeyZGCUNEBHIICASZ-UHFFFAOYSA-N
XLogP5.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-amine;hydrochloride
CID 11595439
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
N-[(4-fluorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
CID 1096454
N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67422882
N,1-bis[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67141660
2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23434569
1-benzyl-N-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridin-7-amine;hydrochloride
CID 68704838
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67141556
4-N-[(4-fluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80777231
N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
CID 140579946
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine (CID 11524069) is 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine is Cc1c(Cc2ccccc2)c2c(NCc3ccc(F)cc3)nccc2n1C.
What is the InChIKey of 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is ZGCUNEBHIICASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3/c1-16-20(14-17-6-4-3-5-7-17)22-21(27(16)2)12-13-25-23(22)26-15-18-8-10-19(24)11-9-18/h3-13H,14-15H2,1-2H3,(H,25,26).
What are the key properties of 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine?
3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 359.45 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(4-fluorophenyl)methyl]-1,2-dimethylpyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 11524069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).