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

C25H32ClN7O3 — CID 71280460

IUPACN-(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
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)nn(CCN3CCOCC3)c2c1.Cl
InChIInChI=1S/C25H31N7O3.ClH/c1-16-4-5-17-20(12-16)32(7-6-31-8-10-35-11-9-31)30-21(17)19-14-27-23-22(28-19)18(13-26-23)24(34)29-25(2,3)15-33;/h4-5,12-14,33H,6-11,15H2,1-3H3,(H,26,27)(H,29,34);1H
InChIKeyJRRSBADPEFHSCY-UHFFFAOYSA-N
MW514.03 g/mol
LogP2.54
Rot. Bonds7

About 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

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 (PubChem CID 71280460) has the molecular formula C25H32ClN7O3 and a molecular weight of 514.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID71280460
Molecular FormulaC25H32ClN7O3
Molecular Weight514.03 g/mol
Exact Mass513.23
IUPAC NameN-(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
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)nn(CCN3CCOCC3)c2c1.Cl
InChIInChI=1S/C25H31N7O3.ClH/c1-16-4-5-17-20(12-16)32(7-6-31-8-10-35-11-9-31)30-21(17)19-14-27-23-22(28-19)18(13-26-23)24(34)29-25(2,3)15-33;/h4-5,12-14,33H,6-11,15H2,1-3H3,(H,26,27)(H,29,34);1H
InChIKeyJRRSBADPEFHSCY-UHFFFAOYSA-N
XLogP2.54
TPSA121.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.03
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)nn(CCN3CCOCC3)c2c1.Cl.
What is the InChIKey of 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?
The InChIKey is JRRSBADPEFHSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3.ClH/c1-16-4-5-17-20(12-16)32(7-6-31-8-10-35-11-9-31)30-21(17)19-14-27-23-22(28-19)18(13-26-23)24(34)29-25(2,3)15-33;/h4-5,12-14,33H,6-11,15H2,1-3H3,(H,26,27)(H,29,34);1H.
What are the key properties of 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?
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 has a molecular weight of 514.03 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71280460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).