N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H25N7O3 — CID 67386629

IUPACN-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3cccc(C(=O)NCC4CC4)c3)nc12)C(=O)N1CC(C#N)C1
InChIInChI=1S/C25H25N7O3/c1-14(25(35)32-12-16(8-26)13-32)30-24(34)19-10-27-22-21(19)31-20(11-28-22)17-3-2-4-18(7-17)23(33)29-9-15-5-6-15/h2-4,7,10-11,14-16H,5-6,9,12-13H2,1H3,(H,27,28)(H,29,33)(H,30,34)/t14-/m1/s1
InChIKeyOXKQEMWBFSQKLE-CQSZACIVSA-N
MW471.52 g/mol
LogP1.86
Rot. Bonds7

About N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67386629) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67386629
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC NameN-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3cccc(C(=O)NCC4CC4)c3)nc12)C(=O)N1CC(C#N)C1
InChIInChI=1S/C25H25N7O3/c1-14(25(35)32-12-16(8-26)13-32)30-24(34)19-10-27-22-21(19)31-20(11-28-22)17-3-2-4-18(7-17)23(33)29-9-15-5-6-15/h2-4,7,10-11,14-16H,5-6,9,12-13H2,1H3,(H,27,28)(H,29,33)(H,30,34)/t14-/m1/s1
InChIKeyOXKQEMWBFSQKLE-CQSZACIVSA-N
XLogP1.86
TPSA143.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[(2r)-1-(3-Cyanoazetidin-1-Yl)-1-Oxidanylidene-Propan-2-Yl]-2-(6-Fluoranyl-1-Methyl-Indazol-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71285696
6-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyridine-3-carboxamide
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2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
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2-(9H-purin-6-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11185393
N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]-6-phenylpyridine-3-carboxamide
CID 44143504
5-{[(2s)-2-Aminopropyl]amino}-3-(1h-Indol-2-Yl)pyrazine-2-Carboxamide
CID 118368188
N-butyl-3-((6-(9H-purin-6-ylamino)hexanoyl)amino)benzamide
CID 24893974
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-imidazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507893
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrimidin-5-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280235
N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386309
1-(4-benzoylpiperazin-1-yl)-2-(4-pyrazin-2-yl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethane-1,2-dione
CID 59729264

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67386629) is N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(-c3cccc(C(=O)NCC4CC4)c3)nc12)C(=O)N1CC(C#N)C1.
What is the InChIKey of N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OXKQEMWBFSQKLE-CQSZACIVSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-14(25(35)32-12-16(8-26)13-32)30-24(34)19-10-27-22-21(19)31-20(11-28-22)17-3-2-4-18(7-17)23(33)29-9-15-5-6-15/h2-4,7,10-11,14-16H,5-6,9,12-13H2,1H3,(H,27,28)(H,29,33)(H,30,34)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67386629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).