2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C105H101F6N21O8 — CID 161155751

About 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 161155751) has the molecular formula C105H101F6N21O8 and a molecular weight of 1899.09 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 161155751
• Molecular Formula: C105H101F6N21O8
• Molecular Weight: 1899.09 g/mol
• Exact Mass: 1897.80
• IUPAC Name: 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: C.C.C.C.CCCOc1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.O=C1Cc2cnc(-c3ccccc3OCC(F)(F)F)nc2N1Cc1ccc(-n2cccn2)cc1.O=C1Cc2cnc(-c3ccccc3OCC3CC3)nc2N1Cc1ccc(-n2cccn2)cc1.O=C1Cc2cnc(-c3cccnc3OCC(F)(F)F)nc2N1[C@@H]1CC[C@H]1c1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C26H21F3N6O2.C26H23N5O2.C25H23N5O2.C24H18F3N5O2.4CH4/c27-26(28,29)15-37-25-20(3-1-10-30-25)23-31-14-17-13-22(36)35(24(17)33-23)21-9-8-19(21)16-4-6-18(7-5-16)34-12-2-11-32-34;32-24-14-20-15-27-25(22-4-1-2-5-23(22)33-17-19-6-7-19)29-26(20)30(24)16-18-8-10-21(11-9-18)31-13-3-12-28-31;1-2-14-32-22-7-4-3-6-21(22)24-26-16-19-15-23(31)29(25(19)28-24)17-18-8-10-20(11-9-18)30-13-5-12-27-30;25-24(26,27)15-34-20-5-2-1-4-19(20)22-28-13-17-12-21(33)31(23(17)30-22)14-16-6-8-18(9-7-16)32-11-3-10-29-32;;;;/h1-7,10-12,14,19,21H,8-9,13,15H2;1-5,8-13,15,19H,6-7,14,16-17H2;3-13,16H,2,14-15,17H2,1H3;1-11,13H,12,14-15H2;4*1H4/t19-,21+;;;;;;;/m0......./s1
• InChIKey: UPGQXTVJMGBXTH-JJHQOOITSA-N
• XLogP: 19.82
• TPSA: 305.45 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.09
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 161155751) is 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is C.C.C.C.CCCOc1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.O=C1Cc2cnc(-c3ccccc3OCC(F)(F)F)nc2N1Cc1ccc(-n2cccn2)cc1.O=C1Cc2cnc(-c3ccccc3OCC3CC3)nc2N1Cc1ccc(-n2cccn2)cc1.O=C1Cc2cnc(-c3cccnc3OCC(F)(F)F)nc2N1[C@@H]1CC[C@H]1c1ccc(-n2cccn2)cc1.

What is the InChIKey of 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is UPGQXTVJMGBXTH-JJHQOOITSA-N. The full InChI is InChI=1S/C26H21F3N6O2.C26H23N5O2.C25H23N5O2.C24H18F3N5O2.4CH4/c27-26(28,29)15-37-25-20(3-1-10-30-25)23-31-14-17-13-22(36)35(24(17)33-23)21-9-8-19(21)16-4-6-18(7-5-16)34-12-2-11-32-34;32-24-14-20-15-27-25(22-4-1-2-5-23(22)33-17-19-6-7-19)29-26(20)30(24)16-18-8-10-21(11-9-18)31-13-3-12-28-31;1-2-14-32-22-7-4-3-6-21(22)24-26-16-19-15-23(31)29(25(19)28-24)17-18-8-10-20(11-9-18)30-13-5-12-27-30;25-24(26,27)15-34-20-5-2-1-4-19(20)22-28-13-17-12-21(33)31(23(17)30-22)14-16-6-8-18(9-7-16)32-11-3-10-29-32;;;;/h1-7,10-12,14,19,21H,8-9,13,15H2;1-5,8-13,15,19H,6-7,14,16-17H2;3-13,16H,2,14-15,17H2,1H3;1-11,13H,12,14-15H2;4*1H4/t19-,21+;;;;;;;/m0......./s1.

What are the key properties of 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1899.09 g/mol, XLogP of 19.82, 26 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclopropylmethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propoxyphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 161155751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).