(4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone

C22H30N4O2Si — CID 90092938

IUPAC(4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone
SMILESCC(CO[Si](C)(C)C(C)(C)C)n1cc(C(=O)c2cc(N)ccn2)c2cnccc21
InChIInChI=1S/C22H30N4O2Si/c1-15(14-28-29(5,6)22(2,3)4)26-13-18(17-12-24-9-8-20(17)26)21(27)19-11-16(23)7-10-25-19/h7-13,15H,14H2,1-6H3,(H2,23,25)
InChIKeyMCVCJOYGYHYNBR-UHFFFAOYSA-N
MW410.59 g/mol
LogP4.83
Rot. Bonds6

About (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone

(4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone (PubChem CID 90092938) has the molecular formula C22H30N4O2Si and a molecular weight of 410.59 g/mol. Its IUPAC name is (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone
PubChem CID90092938
Molecular FormulaC22H30N4O2Si
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name(4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone
SMILESCC(CO[Si](C)(C)C(C)(C)C)n1cc(C(=O)c2cc(N)ccn2)c2cnccc21
InChIInChI=1S/C22H30N4O2Si/c1-15(14-28-29(5,6)22(2,3)4)26-13-18(17-12-24-9-8-20(17)26)21(27)19-11-16(23)7-10-25-19/h7-13,15H,14H2,1-6H3,(H2,23,25)
InChIKeyMCVCJOYGYHYNBR-UHFFFAOYSA-N
XLogP4.83
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
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-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone?
The IUPAC name of (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone (CID 90092938) is (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone.
What is the SMILES notation for (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone?
The canonical SMILES for (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone is CC(CO[Si](C)(C)C(C)(C)C)n1cc(C(=O)c2cc(N)ccn2)c2cnccc21.
What is the InChIKey of (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone?
The InChIKey is MCVCJOYGYHYNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2Si/c1-15(14-28-29(5,6)22(2,3)4)26-13-18(17-12-24-9-8-20(17)26)21(27)19-11-16(23)7-10-25-19/h7-13,15H,14H2,1-6H3,(H2,23,25).
What are the key properties of (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone?
(4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone has a molecular weight of 410.59 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone is sourced from PubChem (CID 90092938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).