N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C26H28F2N4O3 — CID 167143004

About N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167143004) has the molecular formula C26H28F2N4O3 and a molecular weight of 482.53 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 167143004
• Molecular Formula: C26H28F2N4O3
• Molecular Weight: 482.53 g/mol
• Exact Mass: 482.21
• IUPAC Name: N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: C=C=C[C@]1(c2cn3cc(C(=O)Nc4cccc(C(F)F)n4)c(OC(C)C)cc3n2)CCC(C)OC1
• InChI: InChI=1S/C26H28F2N4O3/c1-5-10-26(11-9-17(4)34-15-26)21-14-32-13-18(20(35-16(2)3)12-23(32)30-21)25(33)31-22-8-6-7-19(29-22)24(27)28/h6-8,10,12-14,16-17,24H,1,9,11,15H2,2-4H3,(H,29,31,33)/t17?,26-/m0/s1
• InChIKey: UQQBAUAXISYSLQ-KKFPZRRJSA-N
• XLogP: 5.48
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.53
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 167143004) is N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is C=C=C[C@]1(c2cn3cc(C(=O)Nc4cccc(C(F)F)n4)c(OC(C)C)cc3n2)CCC(C)OC1.

What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is UQQBAUAXISYSLQ-KKFPZRRJSA-N. The full InChI is InChI=1S/C26H28F2N4O3/c1-5-10-26(11-9-17(4)34-15-26)21-14-32-13-18(20(35-16(2)3)12-23(32)30-21)25(33)31-22-8-6-7-19(29-22)24(27)28/h6-8,10,12-14,16-17,24H,1,9,11,15H2,2-4H3,(H,29,31,33)/t17?,26-/m0/s1.

What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(difluoromethyl)-2-pyridinyl]-2-[(3S)-6-methyl-3-propa-1,2-dienyloxan-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167143004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).