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

C24H31N7O2 — CID 126597874

IUPAC[2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCc1ccc2c(-c3cnc4[nH]cc(OC(=O)NC(C)(C)C)c4n3)nn(CCCN(C)C)c2c1
InChIInChI=1S/C24H31N7O2/c1-15-8-9-16-18(12-15)31(11-7-10-30(5)6)29-20(16)17-13-25-22-21(27-17)19(14-26-22)33-23(32)28-24(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3,(H,25,26)(H,28,32)
InChIKeyAABCKWXZKGPYSH-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.12
Rot. Bonds6

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

[2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (PubChem CID 126597874) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
PubChem CID126597874
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name[2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCc1ccc2c(-c3cnc4[nH]cc(OC(=O)NC(C)(C)C)c4n3)nn(CCCN(C)C)c2c1
InChIInChI=1S/C24H31N7O2/c1-15-8-9-16-18(12-15)31(11-7-10-30(5)6)29-20(16)17-13-25-22-21(27-17)19(14-26-22)33-23(32)28-24(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3,(H,25,26)(H,28,32)
InChIKeyAABCKWXZKGPYSH-UHFFFAOYSA-N
XLogP4.12
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[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
[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597865
[2-(1-methyl-6-methylsulfonylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597661
2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279882
N-(1-hydroxy-2-methylpropan-2-yl)-2-[6-methyl-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride
CID 71280460
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-3,3-dimethylbutan-2-yl]carbamate
CID 126597719
(2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate
CID 126597899
2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280174
2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280683
[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate
CID 126597941
[2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 126597505
[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

Frequently Asked Questions

What is the IUPAC name of [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The IUPAC name of [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (CID 126597874) is [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.
What is the SMILES notation for [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The canonical SMILES for [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is Cc1ccc2c(-c3cnc4[nH]cc(OC(=O)NC(C)(C)C)c4n3)nn(CCCN(C)C)c2c1.
What is the InChIKey of [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The InChIKey is AABCKWXZKGPYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-15-8-9-16-18(12-15)31(11-7-10-30(5)6)29-20(16)17-13-25-22-21(27-17)19(14-26-22)33-23(32)28-24(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3,(H,25,26)(H,28,32).
What are the key properties of [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
[2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate has a molecular weight of 449.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is sourced from PubChem (CID 126597874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).