cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide

C30H43FN6O4Si2 — CID 163251891

IUPACcis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1cc2c(cnn2COCC[Si](C)(C)C)cc1-c1nn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12
InChIInChI=1S/C30H43FN6O4Si2/c1-39-26-16-25-20(17-32-36(25)18-40-10-12-42(2,3)4)14-23(26)28-21-8-9-27(34-30(38)22-15-24(22)31)33-29(21)37(35-28)19-41-11-13-43(5,6)7/h8-9,14,16-17,22,24H,10-13,15,18-19H2,1-7H3,(H,33,34,38)/t22-,24+/m1/s1
InChIKeyYJKLETNAUXDGSM-VWNXMTODSA-N
MW626.88 g/mol
LogP6.38
Rot. Bonds14

About cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 163251891) has the molecular formula C30H43FN6O4Si2 and a molecular weight of 626.88 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
PubChem CID163251891
Molecular FormulaC30H43FN6O4Si2
Molecular Weight626.88 g/mol
Exact Mass626.29
IUPAC Namecis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1cc2c(cnn2COCC[Si](C)(C)C)cc1-c1nn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12
InChIInChI=1S/C30H43FN6O4Si2/c1-39-26-16-25-20(17-32-36(25)18-40-10-12-42(2,3)4)14-23(26)28-21-8-9-27(34-30(38)22-15-24(22)31)33-29(21)37(35-28)19-41-11-13-43(5,6)7/h8-9,14,16-17,22,24H,10-13,15,18-19H2,1-7H3,(H,33,34,38)/t22-,24+/m1/s1
InChIKeyYJKLETNAUXDGSM-VWNXMTODSA-N
XLogP6.38
TPSA105.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.88
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
CID 163251816
cis-(1R,2R)-2-fluoro-N-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252137
cis-(1S,2S)-N-[3-(4-ethoxy-5-fluoro-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
CID 163251006
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
CID 170688462
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
N-[3-(2,6-dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-3-(hydroxymethyl)cyclopropane-1-carboxamide
CID 174055627
cis-(1R,2R)-N-[3-(2,6-dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-ethylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide
CID 163251962
methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate
CID 174055588
N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 167374682
N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 174055725
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide (CID 163251891) is cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide is COc1cc2c(cnn2COCC[Si](C)(C)C)cc1-c1nn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is YJKLETNAUXDGSM-VWNXMTODSA-N. The full InChI is InChI=1S/C30H43FN6O4Si2/c1-39-26-16-25-20(17-32-36(25)18-40-10-12-42(2,3)4)14-23(26)28-21-8-9-27(34-30(38)22-15-24(22)31)33-29(21)37(35-28)19-41-11-13-43(5,6)7/h8-9,14,16-17,22,24H,10-13,15,18-19H2,1-7H3,(H,33,34,38)/t22-,24+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 626.88 g/mol, XLogP of 6.38, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163251891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).