1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

C19H21F3N6O2 — CID 167449985

About 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 167449985) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
• PubChem CID: 167449985
• Molecular Formula: C19H21F3N6O2
• Molecular Weight: 422.41 g/mol
• Exact Mass: 422.17
• IUPAC Name: 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
• SMILES: COc1cc2ncc(-c3ccnc(NC4CCNC4)n3)n2cc1C(C)(O)C(F)(F)F
• InChI: InChI=1S/C19H21F3N6O2/c1-18(29,19(20,21)22)12-10-28-14(9-25-16(28)7-15(12)30-2)13-4-6-24-17(27-13)26-11-3-5-23-8-11/h4,6-7,9-11,23,29H,3,5,8H2,1-2H3,(H,24,26,27)
• InChIKey: LMVZLEOXPJDXBR-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 96.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.41
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The IUPAC name of 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 167449985) is 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is COc1cc2ncc(-c3ccnc(NC4CCNC4)n3)n2cc1C(C)(O)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The InChIKey is LMVZLEOXPJDXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c1-18(29,19(20,21)22)12-10-28-14(9-25-16(28)7-15(12)30-2)13-4-6-24-17(27-13)26-11-3-5-23-8-11/h4,6-7,9-11,23,29H,3,5,8H2,1-2H3,(H,24,26,27).

What are the key properties of 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 422.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 167449985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).