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

C24H26N8O2 — CID 71288157

IUPACN-[(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
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(C5CC5)ccc34)nc12)C(=O)N1CC(N)C1
InChIInChI=1S/C24H26N8O2/c1-12(24(34)32-10-15(25)11-32)28-23(33)17-8-26-22-21(17)29-18(9-27-22)20-16-6-5-14(13-3-4-13)7-19(16)31(2)30-20/h5-9,12-13,15H,3-4,10-11,25H2,1-2H3,(H,26,27)(H,28,33)/t12-/m1/s1
InChIKeyZTOZTXXRRCYWNZ-GFCCVEGCSA-N
MW458.53 g/mol
LogP1.68
Rot. Bonds5

About 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

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 (PubChem CID 71288157) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID71288157
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC NameN-[(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
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(C5CC5)ccc34)nc12)C(=O)N1CC(N)C1
InChIInChI=1S/C24H26N8O2/c1-12(24(34)32-10-15(25)11-32)28-23(33)17-8-26-22-21(17)29-18(9-27-22)20-16-6-5-14(13-3-4-13)7-19(16)31(2)30-20/h5-9,12-13,15H,3-4,10-11,25H2,1-2H3,(H,26,27)(H,28,33)/t12-/m1/s1
InChIKeyZTOZTXXRRCYWNZ-GFCCVEGCSA-N
XLogP1.68
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(C5CC5)ccc34)nc12)C(=O)N1CC(N)C1.
What is the InChIKey of 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?
The InChIKey is ZTOZTXXRRCYWNZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-12(24(34)32-10-15(25)11-32)28-23(33)17-8-26-22-21(17)29-18(9-27-22)20-16-6-5-14(13-3-4-13)7-19(16)31(2)30-20/h5-9,12-13,15H,3-4,10-11,25H2,1-2H3,(H,26,27)(H,28,33)/t12-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 458.53 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71288157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).