4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine

C33H37N5OSi — CID 165131333

IUPAC4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine
SMILESCC(C)(C)[Si](OCc1cc(C2CC2)cn2cc(CNc3ccnc(N)c3)nc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37N5OSi/c1-33(2,3)40(29-10-6-4-7-11-29,30-12-8-5-9-13-30)39-23-26-18-25(24-14-15-24)21-38-22-28(37-32(26)38)20-36-27-16-17-35-31(34)19-27/h4-13,16-19,21-22,24H,14-15,20,23H2,1-3H3,(H3,34,35,36)
InChIKeyBVOLZYFNPXDXBA-UHFFFAOYSA-N
MW547.78 g/mol
LogP5.88
Rot. Bonds9

About 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine

4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine (PubChem CID 165131333) has the molecular formula C33H37N5OSi and a molecular weight of 547.78 g/mol. Its IUPAC name is 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine
PubChem CID165131333
Molecular FormulaC33H37N5OSi
Molecular Weight547.78 g/mol
Exact Mass547.28
IUPAC Name4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine
SMILESCC(C)(C)[Si](OCc1cc(C2CC2)cn2cc(CNc3ccnc(N)c3)nc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37N5OSi/c1-33(2,3)40(29-10-6-4-7-11-29,30-12-8-5-9-13-30)39-23-26-18-25(24-14-15-24)21-38-22-28(37-32(26)38)20-36-27-16-17-35-31(34)19-27/h4-13,16-19,21-22,24H,14-15,20,23H2,1-3H3,(H3,34,35,36)
InChIKeyBVOLZYFNPXDXBA-UHFFFAOYSA-N
XLogP5.88
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.78
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine?
The IUPAC name of 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine (CID 165131333) is 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine?
The canonical SMILES for 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine is CC(C)(C)[Si](OCc1cc(C2CC2)cn2cc(CNc3ccnc(N)c3)nc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine?
The InChIKey is BVOLZYFNPXDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5OSi/c1-33(2,3)40(29-10-6-4-7-11-29,30-12-8-5-9-13-30)39-23-26-18-25(24-14-15-24)21-38-22-28(37-32(26)38)20-36-27-16-17-35-31(34)19-27/h4-13,16-19,21-22,24H,14-15,20,23H2,1-3H3,(H3,34,35,36).
What are the key properties of 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine?
4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine has a molecular weight of 547.78 g/mol, XLogP of 5.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine is sourced from PubChem (CID 165131333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).