5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

C17H18N2 — CID 58182258

IUPAC5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCCc1ccc(Cc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H18N2/c1-2-3-13-4-6-14(7-5-13)10-15-11-16-8-9-18-17(16)19-12-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19)
InChIKeyZMIGSPQNLWAZSE-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.11
Rot. Bonds4

About 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58182258) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58182258
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCCc1ccc(Cc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H18N2/c1-2-3-13-4-6-14(7-5-13)10-15-11-16-8-9-18-17(16)19-12-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19)
InChIKeyZMIGSPQNLWAZSE-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 54231217
N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 22273641
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
CID 67227937
5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine
CID 147597000
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine
CID 139449500
1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine
CID 167165143
5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
CID 59832256
ethane;methane;2-methylhexane;propylbenzene;7H-pyrrolo[2,3-d]pyrimidine
CID 161412926
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 70866005
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58182258) is 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is CCCc1ccc(Cc2cnc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZMIGSPQNLWAZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-3-13-4-6-14(7-5-13)10-15-11-16-8-9-18-17(16)19-12-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19).
What are the key properties of 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 250.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58182258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).