N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

C29H42N4O5Si — CID 151147831

IUPACN-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCO[C@@]1(c2cc(OC[C@@H](C)O[Si](C)(C)C(C)(C)C)cc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C29H42N4O5Si/c1-19(38-39(8,9)28(3,4)5)17-37-21-12-24(32-26(13-21)29(35-7)10-11-36-18-29)23-16-33(6)25-15-30-27(14-22(23)25)31-20(2)34/h12-16,19H,10-11,17-18H2,1-9H3,(H,30,31,34)/t19-,29+/m1/s1
InChIKeyMXORPMBZDNKXPG-XBBWARJSSA-N
MW554.76 g/mol
LogP5.64
Rot. Bonds9

About N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 151147831) has the molecular formula C29H42N4O5Si and a molecular weight of 554.76 g/mol. Its IUPAC name is N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID151147831
Molecular FormulaC29H42N4O5Si
Molecular Weight554.76 g/mol
Exact Mass554.29
IUPAC NameN-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCO[C@@]1(c2cc(OC[C@@H](C)O[Si](C)(C)C(C)(C)C)cc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C29H42N4O5Si/c1-19(38-39(8,9)28(3,4)5)17-37-21-12-24(32-26(13-21)29(35-7)10-11-36-18-29)23-16-33(6)25-15-30-27(14-22(23)25)31-20(2)34/h12-16,19H,10-11,17-18H2,1-9H3,(H,30,31,34)/t19-,29+/m1/s1
InChIKeyMXORPMBZDNKXPG-XBBWARJSSA-N
XLogP5.64
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.76
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 151147831) is N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is CO[C@@]1(c2cc(OC[C@@H](C)O[Si](C)(C)C(C)(C)C)cc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1.
What is the InChIKey of N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is MXORPMBZDNKXPG-XBBWARJSSA-N. The full InChI is InChI=1S/C29H42N4O5Si/c1-19(38-39(8,9)28(3,4)5)17-37-21-12-24(32-26(13-21)29(35-7)10-11-36-18-29)23-16-33(6)25-15-30-27(14-22(23)25)31-20(2)34/h12-16,19H,10-11,17-18H2,1-9H3,(H,30,31,34)/t19-,29+/m1/s1.
What are the key properties of N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 554.76 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 151147831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).