6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide

C25H25N7O2 — CID 148917248

IUPAC6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)N5CCCC5)cc34)cnc2N)nc1
InChIInChI=1S/C25H25N7O2/c1-31(2)24(33)15-5-6-20(28-13-15)19-11-16(14-29-22(19)26)17-7-8-27-23-18(17)12-21(30-23)25(34)32-9-3-4-10-32/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,26,29)(H,27,30)
InChIKeyPJUQMQOGLJEYOW-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.21
Rot. Bonds4

About 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide

6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 148917248) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID148917248
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)N5CCCC5)cc34)cnc2N)nc1
InChIInChI=1S/C25H25N7O2/c1-31(2)24(33)15-5-6-20(28-13-15)19-11-16(14-29-22(19)26)17-7-8-27-23-18(17)12-21(30-23)25(34)32-9-3-4-10-32/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,26,29)(H,27,30)
InChIKeyPJUQMQOGLJEYOW-UHFFFAOYSA-N
XLogP3.21
TPSA121.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide (CID 148917248) is 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)N5CCCC5)cc34)cnc2N)nc1.
What is the InChIKey of 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is PJUQMQOGLJEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-31(2)24(33)15-5-6-20(28-13-15)19-11-16(14-29-22(19)26)17-7-8-27-23-18(17)12-21(30-23)25(34)32-9-3-4-10-32/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,26,29)(H,27,30).
What are the key properties of 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 148917248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).