5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C17H14ClN3O2 — CID 118425281

IUPAC5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1(c2ccccc2)COC1)c1cc2cc(Cl)cnc2[nH]1
InChIInChI=1S/C17H14ClN3O2/c18-13-6-11-7-14(20-15(11)19-8-13)16(22)21-17(9-23-10-17)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)(H,21,22)
InChIKeyFSZSMQCYJGVIFX-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.87
Rot. Bonds3

About 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 118425281) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID118425281
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1(c2ccccc2)COC1)c1cc2cc(Cl)cnc2[nH]1
InChIInChI=1S/C17H14ClN3O2/c18-13-6-11-7-14(20-15(11)19-8-13)16(22)21-17(9-23-10-17)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)(H,21,22)
InChIKeyFSZSMQCYJGVIFX-UHFFFAOYSA-N
XLogP2.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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US10493060, Example BVD-523
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methyl 5-[(2-chloro-6-methylbenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 118425281) is 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(NC1(c2ccccc2)COC1)c1cc2cc(Cl)cnc2[nH]1.
What is the InChIKey of 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is FSZSMQCYJGVIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-13-6-11-7-14(20-15(11)19-8-13)16(22)21-17(9-23-10-17)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)(H,21,22).
What are the key properties of 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 118425281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).