[3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea

C22H29N5O3Si — CID 150636162

IUPAC[3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
SMILESCC(C)(C)[Si](C)(C)OC1(c2cccc(-c3c[nH]c4cnc(NC(N)=O)cc34)n2)COC1
InChIInChI=1S/C22H29N5O3Si/c1-21(2,3)31(4,5)30-22(12-29-13-22)18-8-6-7-16(26-18)15-10-24-17-11-25-19(9-14(15)17)27-20(23)28/h6-11,24H,12-13H2,1-5H3,(H3,23,25,27,28)
InChIKeyIYXXVCYGQCEQRP-UHFFFAOYSA-N
MW439.59 g/mol
LogP4.36
Rot. Bonds5

About [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea

[3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea (PubChem CID 150636162) has the molecular formula C22H29N5O3Si and a molecular weight of 439.59 g/mol. Its IUPAC name is [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name[3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
PubChem CID150636162
Molecular FormulaC22H29N5O3Si
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC Name[3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
SMILESCC(C)(C)[Si](C)(C)OC1(c2cccc(-c3c[nH]c4cnc(NC(N)=O)cc34)n2)COC1
InChIInChI=1S/C22H29N5O3Si/c1-21(2,3)31(4,5)30-22(12-29-13-22)18-8-6-7-16(26-18)15-10-24-17-11-25-19(9-14(15)17)27-20(23)28/h6-11,24H,12-13H2,1-5H3,(H3,23,25,27,28)
InChIKeyIYXXVCYGQCEQRP-UHFFFAOYSA-N
XLogP4.36
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea 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

[3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
CID 139501315
[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
CID 139464758
N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464342
N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464646
N-[3-[4-(2-hydroxyethoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464360
N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
tert-butyl 5-acetamido-3-[4-[(3S)-3-hydroxybutoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate;N-[3-[4-[(3S)-3-hydroxybutoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139485182
tert-butyl 5-acetamido-3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate;N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139485183
N-[3-[6-methylsulfanyl-4-(oxan-4-ylmethoxy)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694276
N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876970
N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876994
6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
CID 82382362

Frequently Asked Questions

What is the IUPAC name of [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The IUPAC name of [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea (CID 150636162) is [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea.
What is the SMILES notation for [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The canonical SMILES for [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea is CC(C)(C)[Si](C)(C)OC1(c2cccc(-c3c[nH]c4cnc(NC(N)=O)cc34)n2)COC1.
What is the InChIKey of [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The InChIKey is IYXXVCYGQCEQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3Si/c1-21(2,3)31(4,5)30-22(12-29-13-22)18-8-6-7-16(26-18)15-10-24-17-11-25-19(9-14(15)17)27-20(23)28/h6-11,24H,12-13H2,1-5H3,(H3,23,25,27,28).
What are the key properties of [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
[3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea has a molecular weight of 439.59 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea is sourced from PubChem (CID 150636162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).