2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C28H29FN8O — CID 71288382

IUPAC2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1c[nH]c2ncc(-c3nn(CCN4CCCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C28H29FN8O/c1-18(14-20-6-2-3-9-30-20)33-28(38)22-16-31-27-26(22)34-23(17-32-27)25-21-8-7-19(29)15-24(21)37(35-25)13-12-36-10-4-5-11-36/h2-3,6-9,15-18H,4-5,10-14H2,1H3,(H,31,32)(H,33,38)
InChIKeyZZMBUAWRGVPCSW-UHFFFAOYSA-N
MW512.59 g/mol
LogP3.97
Rot. Bonds8

About 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288382) has the molecular formula C28H29FN8O and a molecular weight of 512.59 g/mol. Its IUPAC name is 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288382
Molecular FormulaC28H29FN8O
Molecular Weight512.59 g/mol
Exact Mass512.24
IUPAC Name2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1c[nH]c2ncc(-c3nn(CCN4CCCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C28H29FN8O/c1-18(14-20-6-2-3-9-30-20)33-28(38)22-16-31-27-26(22)34-23(17-32-27)25-21-8-7-19(29)15-24(21)37(35-25)13-12-36-10-4-5-11-36/h2-3,6-9,15-18H,4-5,10-14H2,1H3,(H,31,32)(H,33,38)
InChIKeyZZMBUAWRGVPCSW-UHFFFAOYSA-N
XLogP3.97
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288382) is 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(Cc1ccccn1)NC(=O)c1c[nH]c2ncc(-c3nn(CCN4CCCC4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ZZMBUAWRGVPCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8O/c1-18(14-20-6-2-3-9-30-20)33-28(38)22-16-31-27-26(22)34-23(17-32-27)25-21-8-7-19(29)15-24(21)37(35-25)13-12-36-10-4-5-11-36/h2-3,6-9,15-18H,4-5,10-14H2,1H3,(H,31,32)(H,33,38).
What are the key properties of 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-N-(1-pyridin-2-ylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).