1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide

C28H38N6O2Si — CID 166517471

IUPAC1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
SMILESC[C@@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C28H38N6O2Si/c1-20-7-6-10-33(20)18-24-14-23-16-29-27(15-26(23)34(24)19-36-11-12-37(3,4)5)31-28(35)21-8-9-25-22(13-21)17-30-32(25)2/h8-9,13-17,20H,6-7,10-12,18-19H2,1-5H3,(H,29,31,35)/t20-/m1/s1
InChIKeyURIFMRRUWFZGQQ-HXUWFJFHSA-N
MW518.74 g/mol
LogP5.47
Rot. Bonds9

About 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide

1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide (PubChem CID 166517471) has the molecular formula C28H38N6O2Si and a molecular weight of 518.74 g/mol. Its IUPAC name is 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
PubChem CID166517471
Molecular FormulaC28H38N6O2Si
Molecular Weight518.74 g/mol
Exact Mass518.28
IUPAC Name1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
SMILESC[C@@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C28H38N6O2Si/c1-20-7-6-10-33(20)18-24-14-23-16-29-27(15-26(23)34(24)19-36-11-12-37(3,4)5)31-28(35)21-8-9-25-22(13-21)17-30-32(25)2/h8-9,13-17,20H,6-7,10-12,18-19H2,1-5H3,(H,29,31,35)/t20-/m1/s1
InChIKeyURIFMRRUWFZGQQ-HXUWFJFHSA-N
XLogP5.47
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide (CID 166517471) is 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide is C[C@@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The InChIKey is URIFMRRUWFZGQQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H38N6O2Si/c1-20-7-6-10-33(20)18-24-14-23-16-29-27(15-26(23)34(24)19-36-11-12-37(3,4)5)31-28(35)21-8-9-25-22(13-21)17-30-32(25)2/h8-9,13-17,20H,6-7,10-12,18-19H2,1-5H3,(H,29,31,35)/t20-/m1/s1.
What are the key properties of 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide has a molecular weight of 518.74 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide is sourced from PubChem (CID 166517471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).