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

C22H24N8O2 — CID 71288361

IUPACN-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,6-dimethylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)N[C@H](C)C(=O)N5CC(N)C5)c4n3)nn(C)c2c1
InChIInChI=1S/C22H24N8O2/c1-11-4-5-14-17(6-11)29(3)28-18(14)16-8-25-20-19(27-16)15(7-24-20)21(31)26-12(2)22(32)30-9-13(23)10-30/h4-8,12-13H,9-10,23H2,1-3H3,(H,24,25)(H,26,31)/t12-/m1/s1
InChIKeyWFVCQYNFQOGNNM-GFCCVEGCSA-N
MW432.49 g/mol
LogP1.11
Rot. Bonds4

About 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

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 (PubChem CID 71288361) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,6-dimethylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288361
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,6-dimethylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)N[C@H](C)C(=O)N5CC(N)C5)c4n3)nn(C)c2c1
InChIInChI=1S/C22H24N8O2/c1-11-4-5-14-17(6-11)29(3)28-18(14)16-8-25-20-19(27-16)15(7-24-20)21(31)26-12(2)22(32)30-9-13(23)10-30/h4-8,12-13H,9-10,23H2,1-3H3,(H,24,25)(H,26,31)/t12-/m1/s1
InChIKeyWFVCQYNFQOGNNM-GFCCVEGCSA-N
XLogP1.11
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.11
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-(1,6-dimethylindazol-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-(1,6-dimethylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288361) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(-c3cnc4[nH]cc(C(=O)N[C@H](C)C(=O)N5CC(N)C5)c4n3)nn(C)c2c1.
What is the InChIKey of 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?
The InChIKey is WFVCQYNFQOGNNM-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-11-4-5-14-17(6-11)29(3)28-18(14)16-8-25-20-19(27-16)15(7-24-20)21(31)26-12(2)22(32)30-9-13(23)10-30/h4-8,12-13H,9-10,23H2,1-3H3,(H,24,25)(H,26,31)/t12-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 432.49 g/mol, XLogP of 1.11, 4 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-(1,6-dimethylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).