2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H24ClN9O3 — CID 71288815

IUPAC2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(CC(=O)N(C)C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1
InChIInChI=1S/C25H24ClN9O3/c1-13(25(38)34-10-14(7-27)11-34)30-24(37)17-8-28-23-22(17)31-18(9-29-23)21-16-5-4-15(26)6-19(16)35(32-21)12-20(36)33(2)3/h4-6,8-9,13-14H,10-12H2,1-3H3,(H,28,29)(H,30,37)/t13-/m1/s1
InChIKeyGJYMZGBBTXWVQD-CYBMUJFWSA-N
MW533.98 g/mol
LogP1.82
Rot. Bonds6

About 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288815) has the molecular formula C25H24ClN9O3 and a molecular weight of 533.98 g/mol. Its IUPAC name is 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288815
Molecular FormulaC25H24ClN9O3
Molecular Weight533.98 g/mol
Exact Mass533.17
IUPAC Name2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(CC(=O)N(C)C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1
InChIInChI=1S/C25H24ClN9O3/c1-13(25(38)34-10-14(7-27)11-34)30-24(37)17-8-28-23-22(17)31-18(9-29-23)21-16-5-4-15(26)6-19(16)35(32-21)12-20(36)33(2)3/h4-6,8-9,13-14H,10-12H2,1-3H3,(H,28,29)(H,30,37)/t13-/m1/s1
InChIKeyGJYMZGBBTXWVQD-CYBMUJFWSA-N
XLogP1.82
TPSA152.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.98
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288815) is 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(CC(=O)N(C)C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1.
What is the InChIKey of 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is GJYMZGBBTXWVQD-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H24ClN9O3/c1-13(25(38)34-10-14(7-27)11-34)30-24(37)17-8-28-23-22(17)31-18(9-29-23)21-16-5-4-15(26)6-19(16)35(32-21)12-20(36)33(2)3/h4-6,8-9,13-14H,10-12H2,1-3H3,(H,28,29)(H,30,37)/t13-/m1/s1.
What are the key properties of 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 533.98 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).