N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine

C23H22ClN3 — CID 167119698

IUPACN-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cnc3[nH]cc(-c4cccc(Cl)c4)c3c2)cc1
InChIInChI=1S/C23H22ClN3/c1-15(2)25-12-16-6-8-17(9-7-16)19-11-21-22(14-27-23(21)26-13-19)18-4-3-5-20(24)10-18/h3-11,13-15,25H,12H2,1-2H3,(H,26,27)
InChIKeyRWGQESMDVVRTJN-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.05
Rot. Bonds5

About N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine

N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine (PubChem CID 167119698) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine
PubChem CID167119698
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC NameN-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cnc3[nH]cc(-c4cccc(Cl)c4)c3c2)cc1
InChIInChI=1S/C23H22ClN3/c1-15(2)25-12-16-6-8-17(9-7-16)19-11-21-22(14-27-23(21)26-13-19)18-4-3-5-20(24)10-18/h3-11,13-15,25H,12H2,1-2H3,(H,26,27)
InChIKeyRWGQESMDVVRTJN-UHFFFAOYSA-N
XLogP6.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
1-[4-[[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl]piperazin-1-yl]ethanone
CID 141403762
[3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine
CID 11952952
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
1-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
CID 46234665
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 155519853
2-amino-N-[[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]acetamide
CID 90071324
4-chloro-5-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 156781518

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine (CID 167119698) is N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2cnc3[nH]cc(-c4cccc(Cl)c4)c3c2)cc1.
What is the InChIKey of N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine?
The InChIKey is RWGQESMDVVRTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3/c1-15(2)25-12-16-6-8-17(9-7-16)19-11-21-22(14-27-23(21)26-13-19)18-4-3-5-20(24)10-18/h3-11,13-15,25H,12H2,1-2H3,(H,26,27).
What are the key properties of N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine?
N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine has a molecular weight of 375.90 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 167119698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).