(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine

C36H43N5Si — CID 123829877

IUPAC(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cc3ccccc3)cnc21.c1ccc(Nc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C23H32N2Si.C13H11N3/c1-17(2)26(18(3)4,19(5)6)25-13-12-22-15-21(16-24-23(22)25)14-20-10-8-7-9-11-20;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12/h7-13,15-19H,14H2,1-6H3;1-9,16H,(H,14,15)
InChIKeyLJWJCOCUDLJIRP-UHFFFAOYSA-N
MW573.86 g/mol
LogP9.96
Rot. Bonds8

About (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine

(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 123829877) has the molecular formula C36H43N5Si and a molecular weight of 573.86 g/mol. Its IUPAC name is (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID123829877
Molecular FormulaC36H43N5Si
Molecular Weight573.86 g/mol
Exact Mass573.33
IUPAC Name(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cc3ccccc3)cnc21.c1ccc(Nc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C23H32N2Si.C13H11N3/c1-17(2)26(18(3)4,19(5)6)25-13-12-22-15-21(16-24-23(22)25)14-20-10-8-7-9-11-20;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12/h7-13,15-19H,14H2,1-6H3;1-9,16H,(H,14,15)
InChIKeyLJWJCOCUDLJIRP-UHFFFAOYSA-N
XLogP9.96
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.86
LogP ≤ 59.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Vactosertib
CID 54766013
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
BN-81,644
CID 9802572
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
Pyrrolopyrimidine, 13h
CID 11996315
Pyrrolopyrimidine, 13a
CID 11996316
Pyrrolopyrimidine, 13c
CID 11996779
6-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 16035342
1'-Methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[indoline-3,4'-piperidine]
CID 24971382

Frequently Asked Questions

What is the IUPAC name of (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 123829877) is (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine is CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cc3ccccc3)cnc21.c1ccc(Nc2cnc3[nH]ccc3c2)cc1.
What is the InChIKey of (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is LJWJCOCUDLJIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2Si.C13H11N3/c1-17(2)26(18(3)4,19(5)6)25-13-12-22-15-21(16-24-23(22)25)14-20-10-8-7-9-11-20;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12/h7-13,15-19H,14H2,1-6H3;1-9,16H,(H,14,15).
What are the key properties of (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?
(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 573.86 g/mol, XLogP of 9.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 123829877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).