[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone

C27H29N5OSi — CID 123420392

IUPAC[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone
SMILESC[Si](C)(C)C#Cc1ccnc(C(=O)N2CCc3nc(NC4Cc5ccccc5C4)ncc3C2)c1
InChIInChI=1S/C27H29N5OSi/c1-34(2,3)13-10-19-8-11-28-25(14-19)26(33)32-12-9-24-22(18-32)17-29-27(31-24)30-23-15-20-6-4-5-7-21(20)16-23/h4-8,11,14,17,23H,9,12,15-16,18H2,1-3H3,(H,29,30,31)
InChIKeyBUJNODORBQHZPA-UHFFFAOYSA-N
MW467.65 g/mol
LogP3.88
Rot. Bonds3

About [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone

[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone (PubChem CID 123420392) has the molecular formula C27H29N5OSi and a molecular weight of 467.65 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone
PubChem CID123420392
Molecular FormulaC27H29N5OSi
Molecular Weight467.65 g/mol
Exact Mass467.21
IUPAC Name[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone
SMILESC[Si](C)(C)C#Cc1ccnc(C(=O)N2CCc3nc(NC4Cc5ccccc5C4)ncc3C2)c1
InChIInChI=1S/C27H29N5OSi/c1-34(2,3)13-10-19-8-11-28-25(14-19)26(33)32-12-9-24-22(18-32)17-29-27(31-24)30-23-15-20-6-4-5-7-21(20)16-23/h4-8,11,14,17,23H,9,12,15-16,18H2,1-3H3,(H,29,30,31)
InChIKeyBUJNODORBQHZPA-UHFFFAOYSA-N
XLogP3.88
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.65
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone?
The IUPAC name of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone (CID 123420392) is [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone is C[Si](C)(C)C#Cc1ccnc(C(=O)N2CCc3nc(NC4Cc5ccccc5C4)ncc3C2)c1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone?
The InChIKey is BUJNODORBQHZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5OSi/c1-34(2,3)13-10-19-8-11-28-25(14-19)26(33)32-12-9-24-22(18-32)17-29-27(31-24)30-23-15-20-6-4-5-7-21(20)16-23/h4-8,11,14,17,23H,9,12,15-16,18H2,1-3H3,(H,29,30,31).
What are the key properties of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone?
[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone has a molecular weight of 467.65 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone is sourced from PubChem (CID 123420392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).