2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H19ClN6O2 — CID 71288429

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](O)[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C19H19ClN6O2/c1-9(10(2)27)23-19(28)13-7-21-18-17(13)24-14(8-22-18)16-12-5-4-11(20)6-15(12)26(3)25-16/h4-10,27H,1-3H3,(H,21,22)(H,23,28)/t9-,10-/m0/s1
InChIKeyQUOZHQLWXROLKW-UWVGGRQHSA-N
MW398.85 g/mol
LogP2.66
Rot. Bonds4

About 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288429) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288429
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](O)[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C19H19ClN6O2/c1-9(10(2)27)23-19(28)13-7-21-18-17(13)24-14(8-22-18)16-12-5-4-11(20)6-15(12)26(3)25-16/h4-10,27H,1-3H3,(H,21,22)(H,23,28)/t9-,10-/m0/s1
InChIKeyQUOZHQLWXROLKW-UWVGGRQHSA-N
XLogP2.66
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279368
2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286026
2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71290391
N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 78050532
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
2-(6-chloro-1-methylindazol-3-yl)-N-(3-hydroxycyclohexyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71287857
2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126605848
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
2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71285592
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,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-chloro-1-methylindazol-3-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286050

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288429) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](O)[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QUOZHQLWXROLKW-UWVGGRQHSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-9(10(2)27)23-19(28)13-7-21-18-17(13)24-14(8-22-18)16-12-5-4-11(20)6-15(12)26(3)25-16/h4-10,27H,1-3H3,(H,21,22)(H,23,28)/t9-,10-/m0/s1.
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).