4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C26H27N7O3 — CID 147732503

IUPAC4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NC5CCOCC5)cc34)cnc2N)nc1
InChIInChI=1S/C26H27N7O3/c1-33(2)26(35)15-3-4-21(29-13-15)20-11-16(14-30-23(20)27)18-5-8-28-24-19(18)12-22(32-24)25(34)31-17-6-9-36-10-7-17/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,27,30)(H,28,32)(H,31,34)
InChIKeyGYSADVTXJBKVEA-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.88
Rot. Bonds5

About 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 147732503) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID147732503
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NC5CCOCC5)cc34)cnc2N)nc1
InChIInChI=1S/C26H27N7O3/c1-33(2)26(35)15-3-4-21(29-13-15)20-11-16(14-30-23(20)27)18-5-8-28-24-19(18)12-22(32-24)25(34)31-17-6-9-36-10-7-17/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,27,30)(H,28,32)(H,31,34)
InChIKeyGYSADVTXJBKVEA-UHFFFAOYSA-N
XLogP2.88
TPSA139.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 147732503) is 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NC5CCOCC5)cc34)cnc2N)nc1.
What is the InChIKey of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is GYSADVTXJBKVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-33(2)26(35)15-3-4-21(29-13-15)20-11-16(14-30-23(20)27)18-5-8-28-24-19(18)12-22(32-24)25(34)31-17-6-9-36-10-7-17/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,27,30)(H,28,32)(H,31,34).
What are the key properties of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 147732503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).