[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

C20H22N6O3 — CID 126597865

IUPAC[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCOc1ccc2c(-c3cnc4[nH]cc(OC(=O)NC(C)(C)C)c4n3)nn(C)c2c1
InChIInChI=1S/C20H22N6O3/c1-20(2,3)24-19(27)29-15-10-22-18-17(15)23-13(9-21-18)16-12-7-6-11(28-5)8-14(12)26(4)25-16/h6-10H,1-5H3,(H,21,22)(H,24,27)
InChIKeyDSQDTXKYLKQZHJ-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.41
Rot. Bonds3

About [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (PubChem CID 126597865) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
PubChem CID126597865
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCOc1ccc2c(-c3cnc4[nH]cc(OC(=O)NC(C)(C)C)c4n3)nn(C)c2c1
InChIInChI=1S/C20H22N6O3/c1-20(2,3)24-19(27)29-15-10-22-18-17(15)23-13(9-21-18)16-12-7-6-11(28-5)8-14(12)26(4)25-16/h6-10H,1-5H3,(H,21,22)(H,24,27)
InChIKeyDSQDTXKYLKQZHJ-UHFFFAOYSA-N
XLogP3.41
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597874
[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate
CID 126597941
2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279955
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-2-yl)ethyl]carbamate
CID 126597819
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate
CID 126597799
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-2-yl]carbamate
CID 126597910
[2-[5-(1-hydroxyethyl)-1-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 126597821
N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288231
[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-1-(3-fluoroazetidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 126597778
[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 126597657
[2-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 126597688
[2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 126597947

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The IUPAC name of [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (CID 126597865) is [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.
What is the SMILES notation for [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The canonical SMILES for [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is COc1ccc2c(-c3cnc4[nH]cc(OC(=O)NC(C)(C)C)c4n3)nn(C)c2c1.
What is the InChIKey of [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The InChIKey is DSQDTXKYLKQZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-20(2,3)24-19(27)29-15-10-22-18-17(15)23-13(9-21-18)16-12-7-6-11(28-5)8-14(12)26(4)25-16/h6-10H,1-5H3,(H,21,22)(H,24,27).
What are the key properties of [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate has a molecular weight of 394.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is sourced from PubChem (CID 126597865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).