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

C25H25N7O3 — CID 147924064

IUPAC6-[2-amino-5-[2-(morpholine-4-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)N5CCOCC5)cc34)cnc2N)nc1
InChIInChI=1S/C25H25N7O3/c1-31(2)24(33)15-3-4-20(28-13-15)19-11-16(14-29-22(19)26)17-5-6-27-23-18(17)12-21(30-23)25(34)32-7-9-35-10-8-32/h3-6,11-14H,7-10H2,1-2H3,(H2,26,29)(H,27,30)
InChIKeyIIOWSXASRYVWRK-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.44
Rot. Bonds4

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

6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 147924064) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID147924064
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name6-[2-amino-5-[2-(morpholine-4-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)N5CCOCC5)cc34)cnc2N)nc1
InChIInChI=1S/C25H25N7O3/c1-31(2)24(33)15-3-4-20(28-13-15)19-11-16(14-29-22(19)26)17-5-6-27-23-18(17)12-21(30-23)25(34)32-7-9-35-10-8-32/h3-6,11-14H,7-10H2,1-2H3,(H2,26,29)(H,27,30)
InChIKeyIIOWSXASRYVWRK-UHFFFAOYSA-N
XLogP2.44
TPSA130.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 147732503
6-[2-amino-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 142612752
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 155210718
6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 147113539
6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 150933568
N,N-dimethyl-6-[5-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 164577833
N-[2-(hydroxymethyl)-3-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 90008729
morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000365
N,N-dimethyl-4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929598
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-[2-(morpholine-4-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-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide (CID 147924064) is 6-[2-amino-5-[2-(morpholine-4-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-(morpholine-4-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-(morpholine-4-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)N5CCOCC5)cc34)cnc2N)nc1.
What is the InChIKey of 6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is IIOWSXASRYVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-31(2)24(33)15-3-4-20(28-13-15)19-11-16(14-29-22(19)26)17-5-6-27-23-18(17)12-21(30-23)25(34)32-7-9-35-10-8-32/h3-6,11-14H,7-10H2,1-2H3,(H2,26,29)(H,27,30).
What are the key properties of 6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 147924064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).