2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C108H99F9N22O8 — CID 161369828

About 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 161369828) has the molecular formula C108H99F9N22O8 and a molecular weight of 2004.11 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 161369828
• Molecular Formula: C108H99F9N22O8
• Molecular Weight: 2004.11 g/mol
• Exact Mass: 2002.79
• IUPAC Name: 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC34COC4)cc1)C(=O)C2.CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.CCCOc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4OCC4CC4)nc32)cc1
• InChI: InChI=1S/C29H30N4O3.C27H23F3N6O2.C26H23F3N6O2.C26H23F3N6O/c1-19(2)23-6-3-4-7-24(23)26-30-15-22-14-25(34)32(27(22)31-26)16-20-8-10-21(11-9-20)28(35)33-13-5-12-29(33)17-36-18-29;1-35-14-21(27(28,29)30)33-24(35)18-8-6-16(7-9-18)13-36-22(37)11-19-12-32-23(34-25(19)36)20-3-2-10-31-26(20)38-15-17-4-5-17;1-3-11-37-25-19(5-4-10-30-25)22-31-13-18-12-21(36)35(24(18)33-22)14-16-6-8-17(9-7-16)23-32-20(15-34(23)2)26(27,28)29;1-15(2)22-19(5-4-10-30-22)23-31-12-18-11-21(36)35(25(18)33-23)13-16-6-8-17(9-7-16)24-32-20(14-34(24)3)26(27,28)29/h3-4,6-11,15,19H,5,12-14,16-18H2,1-2H3;2-3,6-10,12,14,17H,4-5,11,13,15H2,1H3;4-10,13,15H,3,11-12,14H2,1-2H3;4-10,12,14-15H,11,13H2,1-3H3
• InChIKey: VQHVCFVYDCRKEQ-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 324.49 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.11
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 161369828) is 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC34COC4)cc1)C(=O)C2.CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.CCCOc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4OCC4CC4)nc32)cc1.

What is the InChIKey of 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is VQHVCFVYDCRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3.C27H23F3N6O2.C26H23F3N6O2.C26H23F3N6O/c1-19(2)23-6-3-4-7-24(23)26-30-15-22-14-25(34)32(27(22)31-26)16-20-8-10-21(11-9-20)28(35)33-13-5-12-29(33)17-36-18-29;1-35-14-21(27(28,29)30)33-24(35)18-8-6-16(7-9-18)13-36-22(37)11-19-12-32-23(34-25(19)36)20-3-2-10-31-26(20)38-15-17-4-5-17;1-3-11-37-25-19(5-4-10-30-25)22-31-13-18-12-21(36)35(24(18)33-22)14-16-6-8-17(9-7-16)23-32-20(15-34(23)2)26(27,28)29;1-15(2)22-19(5-4-10-30-22)23-31-12-18-11-21(36)35(25(18)33-23)13-16-6-8-17(9-7-16)24-32-20(14-34(24)3)26(27,28)29/h3-4,6-11,15,19H,5,12-14,16-18H2,1-2H3;2-3,6-10,12,14,17H,4-5,11,13,15H2,1H3;4-10,13,15H,3,11-12,14H2,1-2H3;4-10,12,14-15H,11,13H2,1-3H3.

What are the key properties of 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2004.11 g/mol, XLogP of 19.20, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 161369828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).