N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H28N8O2 — CID 71288209

IUPACN-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCC(N)CC4)C4CC4)c3n2)c2ccccc21
InChIInChI=1S/C25H28N8O2/c1-32-19-5-3-2-4-16(19)21(31-32)18-13-28-23-22(29-18)17(12-27-23)24(34)30-20(14-6-7-14)25(35)33-10-8-15(26)9-11-33/h2-5,12-15,20H,6-11,26H2,1H3,(H,27,28)(H,30,34)/t20-/m1/s1
InChIKeyNCWGWHVYGUHFFH-HXUWFJFHSA-N
MW472.55 g/mol
LogP1.97
Rot. Bonds5

About N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288209) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288209
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCC(N)CC4)C4CC4)c3n2)c2ccccc21
InChIInChI=1S/C25H28N8O2/c1-32-19-5-3-2-4-16(19)21(31-32)18-13-28-23-22(29-18)17(12-27-23)24(34)30-20(14-6-7-14)25(35)33-10-8-15(26)9-11-33/h2-5,12-15,20H,6-11,26H2,1H3,(H,27,28)(H,30,34)/t20-/m1/s1
InChIKeyNCWGWHVYGUHFFH-HXUWFJFHSA-N
XLogP1.97
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288266
N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,6-dimethylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288361
N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-cyclopropyl-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288157
N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288259
N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288231
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-[(2R,3R)-1-(3-fluoroazetidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288348
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71285775
[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]carbamate
CID 126597652
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
N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 129013481
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71285696

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288209) is N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCC(N)CC4)C4CC4)c3n2)c2ccccc21.
What is the InChIKey of N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is NCWGWHVYGUHFFH-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-32-19-5-3-2-4-16(19)21(31-32)18-13-28-23-22(29-18)17(12-27-23)24(34)30-20(14-6-7-14)25(35)33-10-8-15(26)9-11-33/h2-5,12-15,20H,6-11,26H2,1H3,(H,27,28)(H,30,34)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).