N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C23H21N5O2 — CID 176656230

IUPACN-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(Nc1cnccc1N1CCOCC1)c1c[nH]c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C23H21N5O2/c29-23(27-20-15-24-7-6-21(20)28-8-10-30-11-9-28)19-14-26-22-18(19)12-17(13-25-22)16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,25,26)(H,27,29)
InChIKeySQLPHBDXHAGCOU-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.71
Rot. Bonds4

About N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 176656230) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID176656230
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(Nc1cnccc1N1CCOCC1)c1c[nH]c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C23H21N5O2/c29-23(27-20-15-24-7-6-21(20)28-8-10-30-11-9-28)19-14-26-22-18(19)12-17(13-25-22)16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,25,26)(H,27,29)
InChIKeySQLPHBDXHAGCOU-UHFFFAOYSA-N
XLogP3.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 176656230) is N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(Nc1cnccc1N1CCOCC1)c1c[nH]c2ncc(-c3ccccc3)cc12.
What is the InChIKey of N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is SQLPHBDXHAGCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(27-20-15-24-7-6-21(20)28-8-10-30-11-9-28)19-14-26-22-18(19)12-17(13-25-22)16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,25,26)(H,27,29).
What are the key properties of N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 176656230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).