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

C21H21ClN6O2 — CID 126605848

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4CCC[C@@H](O)C4)c3n2)c2ccc(Cl)cc21
InChIInChI=1S/C21H21ClN6O2/c1-28-17-7-11(22)5-6-14(17)18(27-28)16-10-24-20-19(26-16)15(9-23-20)21(30)25-12-3-2-4-13(29)8-12/h5-7,9-10,12-13,29H,2-4,8H2,1H3,(H,23,24)(H,25,30)/t12?,13-/m1/s1
InChIKeyDYILZDMRGBMURS-ZGTCLIOFSA-N
MW424.89 g/mol
LogP3.20
Rot. Bonds3

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

2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 126605848) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID126605848
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4CCC[C@@H](O)C4)c3n2)c2ccc(Cl)cc21
InChIInChI=1S/C21H21ClN6O2/c1-28-17-7-11(22)5-6-14(17)18(27-28)16-10-24-20-19(26-16)15(9-23-20)21(30)25-12-3-2-4-13(29)8-12/h5-7,9-10,12-13,29H,2-4,8H2,1H3,(H,23,24)(H,25,30)/t12?,13-/m1/s1
InChIKeyDYILZDMRGBMURS-ZGTCLIOFSA-N
XLogP3.20
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-1-methylindazol-3-yl)-N-(3-hydroxycyclohexyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71287857
N-[(1R,3S)-3-hydroxycyclohexyl]-2-[6-(iodomethyl)-1-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 89426262
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288301
2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286050
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-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71290391
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-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288429
[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate
CID 126597941
2-[6-(iodomethyl)-1-methylindazol-3-yl]-N-(3-oxocyclohexyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 89426258
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-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 162591664

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 126605848) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NC4CCC[C@@H](O)C4)c3n2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is DYILZDMRGBMURS-ZGTCLIOFSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c1-28-17-7-11(22)5-6-14(17)18(27-28)16-10-24-20-19(26-16)15(9-23-20)21(30)25-12-3-2-4-13(29)8-12/h5-7,9-10,12-13,29H,2-4,8H2,1H3,(H,23,24)(H,25,30)/t12?,13-/m1/s1.
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 3.20, 3 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-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 126605848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).