5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

C16H15IN4 — CID 122432943

IUPAC5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESIC1CCN(c2cnc3[nH]cc(-c4ccncc4)c3c2)C1
InChIInChI=1S/C16H15IN4/c17-12-3-6-21(10-12)13-7-14-15(9-20-16(14)19-8-13)11-1-4-18-5-2-11/h1-2,4-5,7-9,12H,3,6,10H2,(H,19,20)
InChIKeyKJNMMJYGUYMEEK-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.64
Rot. Bonds2

About 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 122432943) has the molecular formula C16H15IN4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID122432943
Molecular FormulaC16H15IN4
Molecular Weight390.23 g/mol
Exact Mass390.03
IUPAC Name5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESIC1CCN(c2cnc3[nH]cc(-c4ccncc4)c3c2)C1
InChIInChI=1S/C16H15IN4/c17-12-3-6-21(10-12)13-7-14-15(9-20-16(14)19-8-13)11-1-4-18-5-2-11/h1-2,4-5,7-9,12H,3,6,10H2,(H,19,20)
InChIKeyKJNMMJYGUYMEEK-UHFFFAOYSA-N
XLogP3.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(3S)-1-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-yl]prop-2-enamide
CID 122421395
methyl-[1-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)azetidin-3-yl]cyanamide
CID 122421484
N-[3-(3-aminopyrrolidin-1-yl)-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
CID 122421551
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
1-[1-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]but-3-en-2-one
CID 148596599
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
CID 122421773
methyl-[1-[3-[5-(methylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]cyanamide
CID 122421446
2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 129162842
4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 146570395
4-[3-[2-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 146570398
N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide
CID 122421882
5-[5-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1-phenylethyl)pyrimidine-2-carboxamide
CID 146570468

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 122432943) is 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is IC1CCN(c2cnc3[nH]cc(-c4ccncc4)c3c2)C1.
What is the InChIKey of 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KJNMMJYGUYMEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4/c17-12-3-6-21(10-12)13-7-14-15(9-20-16(14)19-8-13)11-1-4-18-5-2-11/h1-2,4-5,7-9,12H,3,6,10H2,(H,19,20).
What are the key properties of 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 390.23 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodopyrrolidin-1-yl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122432943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).