N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

About N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 142742655) has the molecular formula C27H35N7O3Si and a molecular weight of 533.71 g/mol. Its IUPAC name is N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name	N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID	142742655
Molecular Formula	C27H35N7O3Si
Molecular Weight	533.71 g/mol
Exact Mass	533.26
IUPAC Name	N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILES	Cc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4nc3N3CC[C@H](O[Si](C)(C)C(C)(C)C)C3)co2)ccn1
InChI	InChI=1S/C27H35N7O3Si/c1-17-12-18(8-10-28-17)26-31-22(16-36-26)25(35)30-21-13-19-14-29-33(5)23(19)32-24(21)34-11-9-20(15-34)37-38(6,7)27(2,3)4/h8,10,12-14,16,20H,9,11,15H2,1-7H3,(H,30,35)/t20-/m0/s1
InChIKey	ZRSPTXPMPRVLMM-FQEVSTJZSA-N
XLogP	5.18
TPSA	111.20 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.71
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 142742655) is N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4nc3N3CC[C@H](O[Si](C)(C)C(C)(C)C)C3)co2)ccn1.

What is the InChIKey of N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The InChIKey is ZRSPTXPMPRVLMM-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H35N7O3Si/c1-17-12-18(8-10-28-17)26-31-22(16-36-26)25(35)30-21-13-19-14-29-33(5)23(19)32-24(21)34-11-9-20(15-34)37-38(6,7)27(2,3)4/h8,10,12-14,16,20H,9,11,15H2,1-7H3,(H,30,35)/t20-/m0/s1.

What are the key properties of N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 533.71 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142742655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).