2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H31N7O2 — CID 71280128

IUPAC2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)nn(CCCN(C)C)c2c1
InChIInChI=1S/C24H31N7O2/c1-15-7-8-16-19(11-15)31(10-6-9-30(4)5)29-20(16)18-13-26-22-21(27-18)17(12-25-22)23(33)28-24(2,3)14-32/h7-8,11-13,32H,6,9-10,14H2,1-5H3,(H,25,26)(H,28,33)
InChIKeyYVQSMIMOPKDASQ-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.74
Rot. Bonds8

About 2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280128) 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]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71280128
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)nn(CCCN(C)C)c2c1
InChIInChI=1S/C24H31N7O2/c1-15-7-8-16-19(11-15)31(10-6-9-30(4)5)29-20(16)18-13-26-22-21(27-18)17(12-25-22)23(33)28-24(2,3)14-32/h7-8,11-13,32H,6,9-10,14H2,1-5H3,(H,25,26)(H,28,33)
InChIKeyYVQSMIMOPKDASQ-UHFFFAOYSA-N
XLogP2.74
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280128) is 2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)nn(CCCN(C)C)c2c1.
What is the InChIKey of 2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YVQSMIMOPKDASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-15-7-8-16-19(11-15)31(10-6-9-30(4)5)29-20(16)18-13-26-22-21(27-18)17(12-25-22)23(33)28-24(2,3)14-32/h7-8,11-13,32H,6,9-10,14H2,1-5H3,(H,25,26)(H,28,33).
What are the key properties of 2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 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]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).