N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H26N8O2 — CID 53386252

IUPACN-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC[C@@H](C#N)C4)C(C)(C)C)c3n2)cn1
InChIInChI=1S/C22H26N8O2/c1-22(2,3)18(21(32)30-6-5-13(7-23)11-30)28-20(31)15-9-24-19-17(15)27-16(10-25-19)14-8-26-29(4)12-14/h8-10,12-13,18H,5-6,11H2,1-4H3,(H,24,25)(H,28,31)/t13-,18-/m0/s1
InChIKeySKMHXPNFJKEUGC-UGSOOPFHSA-N
MW434.50 g/mol
LogP1.87
Rot. Bonds4

About N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 53386252) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID53386252
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC NameN-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC[C@@H](C#N)C4)C(C)(C)C)c3n2)cn1
InChIInChI=1S/C22H26N8O2/c1-22(2,3)18(21(32)30-6-5-13(7-23)11-30)28-20(31)15-9-24-19-17(15)27-16(10-25-19)14-8-26-29(4)12-14/h8-10,12-13,18H,5-6,11H2,1-4H3,(H,24,25)(H,28,31)/t13-,18-/m0/s1
InChIKeySKMHXPNFJKEUGC-UGSOOPFHSA-N
XLogP1.87
TPSA132.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438620
N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386043
N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386153
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286167
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125189
1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-4-carbonitrile;2-[3,5-bis(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 162622581
2-[5-(4-cyanopiperidine-1-carbonyl)thiophen-2-yl]-N-(3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 76811877
N-[(2R,3S)-1-(4-cyanopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438599
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
2-(6-chloro-1-methylindol-3-yl)-N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 78050651
2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 87380460
N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 78050642

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 53386252) is N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC[C@@H](C#N)C4)C(C)(C)C)c3n2)cn1.
What is the InChIKey of N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is SKMHXPNFJKEUGC-UGSOOPFHSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-22(2,3)18(21(32)30-6-5-13(7-23)11-30)28-20(31)15-9-24-19-17(15)27-16(10-25-19)14-8-26-29(4)12-14/h8-10,12-13,18H,5-6,11H2,1-4H3,(H,24,25)(H,28,31)/t13-,18-/m0/s1.
What are the key properties of N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 53386252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).