7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

C54H52F4N12O6 — CID 157184425

About 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 157184425) has the molecular formula C54H52F4N12O6 and a molecular weight of 1041.08 g/mol. Its IUPAC name is 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
• PubChem CID: 157184425
• Molecular Formula: C54H52F4N12O6
• Molecular Weight: 1041.08 g/mol
• Exact Mass: 1040.41
• IUPAC Name: 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)CC(NC(=O)c1cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc13)CC2.O=C(O)c1cn2c(n1)CC(NC(=O)c1cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc13)CC2
• InChI: InChI=1S/C28H28F2N6O3.C26H24F2N6O3/c1-2-39-28(38)24-13-20-7-6-18(16-36(20)33-24)32-27(37)22-15-31-35-11-9-19(14-26(22)35)34-10-3-4-25(34)21-12-17(29)5-8-23(21)30;27-15-3-4-20(28)18(10-15)22-2-1-7-33(22)17-6-9-34-23(12-17)19(13-29-34)25(35)30-16-5-8-32-14-21(26(36)37)31-24(32)11-16/h5,8-9,11-15,18,25H,2-4,6-7,10,16H2,1H3,(H,32,37);3-4,6,9-10,12-14,16,22H,1-2,5,7-8,11H2,(H,30,35)(H,36,37)/t18?,25-;16?,22-/m11/s1
• InChIKey: AOYJNKQGWLTWQV-MBUSRCMDSA-N
• XLogP: 7.67
• TPSA: 198.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1041.08
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?

The IUPAC name of 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (CID 157184425) is 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate.

What is the SMILES notation for 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?

The canonical SMILES for 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate is CCOC(=O)c1cc2n(n1)CC(NC(=O)c1cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc13)CC2.O=C(O)c1cn2c(n1)CC(NC(=O)c1cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc13)CC2.

What is the InChIKey of 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?

The InChIKey is AOYJNKQGWLTWQV-MBUSRCMDSA-N. The full InChI is InChI=1S/C28H28F2N6O3.C26H24F2N6O3/c1-2-39-28(38)24-13-20-7-6-18(16-36(20)33-24)32-27(37)22-15-31-35-11-9-19(14-26(22)35)34-10-3-4-25(34)21-12-17(29)5-8-23(21)30;27-15-3-4-20(28)18(10-15)22-2-1-7-33(22)17-6-9-34-23(12-17)19(13-29-34)25(35)30-16-5-8-32-14-21(26(36)37)31-24(32)11-16/h5,8-9,11-15,18,25H,2-4,6-7,10,16H2,1H3,(H,32,37);3-4,6,9-10,12-14,16,22H,1-2,5,7-8,11H2,(H,30,35)(H,36,37)/t18?,25-;16?,22-/m11/s1.

What are the key properties of 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?

7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 1041.08 g/mol, XLogP of 7.67, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 157184425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).