6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

C29H26N5O3PS — CID 58101602

About 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 58101602) has the molecular formula C29H26N5O3PS and a molecular weight of 555.60 g/mol. Its IUPAC name is 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
• PubChem CID: 58101602
• Molecular Formula: C29H26N5O3PS
• Molecular Weight: 555.60 g/mol
• Exact Mass: 555.15
• IUPAC Name: 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
• SMILES: CC1(C)O[C@H](COc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)n2)CP1
• InChI: InChI=1S/C29H26N5O3PS/c1-29(2)37-19(17-38-29)16-36-24-15-23(31-25(34-24)18-9-4-3-5-10-18)26(35)32-21-12-7-6-11-20(21)27-33-22-13-8-14-30-28(22)39-27/h3-15,19,38H,16-17H2,1-2H3,(H,32,35)/t19-/m1/s1
• InChIKey: KFWCMKKEELVUPV-LJQANCHMSA-N
• XLogP: 6.26
• TPSA: 99.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.60
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (CID 58101602) is 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is CC1(C)O[C@H](COc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)n2)CP1.

What is the InChIKey of 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?

The InChIKey is KFWCMKKEELVUPV-LJQANCHMSA-N. The full InChI is InChI=1S/C29H26N5O3PS/c1-29(2)37-19(17-38-29)16-36-24-15-23(31-25(34-24)18-9-4-3-5-10-18)26(35)32-21-12-7-6-11-20(21)27-33-22-13-8-14-30-28(22)39-27/h3-15,19,38H,16-17H2,1-2H3,(H,32,35)/t19-/m1/s1.

What are the key properties of 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?

6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 555.60 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 58101602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).