2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H23N7O — CID 71279311

IUPAC2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC5(C)CCNC5)c4n3)nn(C)c2c1
InChIInChI=1S/C21H23N7O/c1-12-4-5-13-16(8-12)28(3)27-17(13)15-10-24-19-18(25-15)14(9-23-19)20(29)26-21(2)6-7-22-11-21/h4-5,8-10,22H,6-7,11H2,1-3H3,(H,23,24)(H,26,29)
InChIKeyMNULNRKCIHEFMM-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.30
Rot. Bonds3

About 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279311) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279311
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC5(C)CCNC5)c4n3)nn(C)c2c1
InChIInChI=1S/C21H23N7O/c1-12-4-5-13-16(8-12)28(3)27-17(13)15-10-24-19-18(25-15)14(9-23-19)20(29)26-21(2)6-7-22-11-21/h4-5,8-10,22H,6-7,11H2,1-3H3,(H,23,24)(H,26,29)
InChIKeyMNULNRKCIHEFMM-UHFFFAOYSA-N
XLogP2.30
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279311) is 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc2c(-c3cnc4[nH]cc(C(=O)NC5(C)CCNC5)c4n3)nn(C)c2c1.
What is the InChIKey of 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MNULNRKCIHEFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-12-4-5-13-16(8-12)28(3)27-17(13)15-10-24-19-18(25-15)14(9-23-19)20(29)26-21(2)6-7-22-11-21/h4-5,8-10,22H,6-7,11H2,1-3H3,(H,23,24)(H,26,29).
What are the key properties of 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylindazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).