N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide

C27H36Cl2N4O2Si — CID 86720008

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide
SMILESCCCn1ccc2cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc(C3CC3)c21
InChIInChI=1S/C27H36Cl2N4O2Si/c1-7-11-32-12-10-19-15-20(16-21(23(19)32)18-8-9-18)33(13-14-35-36(5,6)27(2,3)4)26(34)22-24(28)30-17-31-25(22)29/h10,12,15-18H,7-9,11,13-14H2,1-6H3
InChIKeyXNDUBLDQKWAFNR-UHFFFAOYSA-N
MW547.60 g/mol
LogP7.69
Rot. Bonds9

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide (PubChem CID 86720008) has the molecular formula C27H36Cl2N4O2Si and a molecular weight of 547.60 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide
PubChem CID86720008
Molecular FormulaC27H36Cl2N4O2Si
Molecular Weight547.60 g/mol
Exact Mass546.20
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide
SMILESCCCn1ccc2cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc(C3CC3)c21
InChIInChI=1S/C27H36Cl2N4O2Si/c1-7-11-32-12-10-19-15-20(16-21(23(19)32)18-8-9-18)33(13-14-35-36(5,6)27(2,3)4)26(34)22-24(28)30-17-31-25(22)29/h10,12,15-18H,7-9,11,13-14H2,1-6H3
InChIKeyXNDUBLDQKWAFNR-UHFFFAOYSA-N
XLogP7.69
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.60
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide (CID 86720008) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide is CCCn1ccc2cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc(C3CC3)c21.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide?
The InChIKey is XNDUBLDQKWAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36Cl2N4O2Si/c1-7-11-32-12-10-19-15-20(16-21(23(19)32)18-8-9-18)33(13-14-35-36(5,6)27(2,3)4)26(34)22-24(28)30-17-31-25(22)29/h10,12,15-18H,7-9,11,13-14H2,1-6H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide has a molecular weight of 547.60 g/mol, XLogP of 7.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(7-cyclopropyl-1-propylindol-5-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 86720008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).