(4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide

About (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide

(4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide (PubChem CID 140798198) has the molecular formula C31H44N6O2SSi and a molecular weight of 592.89 g/mol. Its IUPAC name is (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide.

Molecular Properties

Compound Name	(4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide
PubChem CID	140798198
Molecular Formula	C31H44N6O2SSi
Molecular Weight	592.89 g/mol
Exact Mass	592.30
IUPAC Name	(4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide
SMILES	CCC[C@H](CC(C)(C)S(N)=O)c1nccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1
InChI	InChI=1S/C31H44N6O2SSi/c1-9-11-23(19-31(5,6)40(32)38)29-33-17-16-26(36-29)22-14-15-24-20-34-37(27(24)18-22)28-13-10-12-25(35-28)21-39-41(7,8)30(2,3)4/h10,12-18,20,23H,9,11,19,21,32H2,1-8H3/t23-,40?/m1/s1
InChIKey	LMBPAJCBMPKXJJ-ZPCXCMIWSA-N
XLogP	7.07
TPSA	108.81 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	11
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.89
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide?

The IUPAC name of (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide (CID 140798198) is (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide.

What is the SMILES notation for (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide?

The canonical SMILES for (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide is CCC[C@H](CC(C)(C)S(N)=O)c1nccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1.

What is the InChIKey of (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide?

The InChIKey is LMBPAJCBMPKXJJ-ZPCXCMIWSA-N. The full InChI is InChI=1S/C31H44N6O2SSi/c1-9-11-23(19-31(5,6)40(32)38)29-33-17-16-26(36-29)22-14-15-24-20-34-37(27(24)18-22)28-13-10-12-25(35-28)21-39-41(7,8)30(2,3)4/h10,12-18,20,23H,9,11,19,21,32H2,1-8H3/t23-,40?/m1/s1.

What are the key properties of (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide?

(4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide has a molecular weight of 592.89 g/mol, XLogP of 7.07, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]-2-methylheptane-2-sulfinamide is sourced from PubChem (CID 140798198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).