4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one

C22H35N3O3Si — CID 176724206

IUPAC4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESC[Si](C)(C)CCOCn1c(CN[C@H]2CCC[C@H]2O)cc2c(C3CC3)c[nH]c(=O)c21
InChIInChI=1S/C22H35N3O3Si/c1-29(2,3)10-9-28-14-25-16(12-23-19-5-4-6-20(19)26)11-17-18(15-7-8-15)13-24-22(27)21(17)25/h11,13,15,19-20,23,26H,4-10,12,14H2,1-3H3,(H,24,27)/t19-,20+/m0/s1
InChIKeyDFPRAHOHMGIISC-VQTJNVASSA-N
MW417.63 g/mol
LogP3.52
Rot. Bonds9

About 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one

4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 176724206) has the molecular formula C22H35N3O3Si and a molecular weight of 417.63 g/mol. Its IUPAC name is 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID176724206
Molecular FormulaC22H35N3O3Si
Molecular Weight417.63 g/mol
Exact Mass417.24
IUPAC Name4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESC[Si](C)(C)CCOCn1c(CN[C@H]2CCC[C@H]2O)cc2c(C3CC3)c[nH]c(=O)c21
InChIInChI=1S/C22H35N3O3Si/c1-29(2,3)10-9-28-14-25-16(12-23-19-5-4-6-20(19)26)11-17-18(15-7-8-15)13-24-22(27)21(17)25/h11,13,15,19-20,23,26H,4-10,12,14H2,1-3H3,(H,24,27)/t19-,20+/m0/s1
InChIKeyDFPRAHOHMGIISC-VQTJNVASSA-N
XLogP3.52
TPSA79.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.63
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one 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 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one (CID 176724206) is 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one is C[Si](C)(C)CCOCn1c(CN[C@H]2CCC[C@H]2O)cc2c(C3CC3)c[nH]c(=O)c21.
What is the InChIKey of 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is DFPRAHOHMGIISC-VQTJNVASSA-N. The full InChI is InChI=1S/C22H35N3O3Si/c1-29(2,3)10-9-28-14-25-16(12-23-19-5-4-6-20(19)26)11-17-18(15-7-8-15)13-24-22(27)21(17)25/h11,13,15,19-20,23,26H,4-10,12,14H2,1-3H3,(H,24,27)/t19-,20+/m0/s1.
What are the key properties of 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 417.63 g/mol, XLogP of 3.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 176724206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).