[7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone

C121H149F3N22O6 — CID 158851984

About [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone

[7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone (PubChem CID 158851984) has the molecular formula C121H149F3N22O6 and a molecular weight of 2064.66 g/mol. Its IUPAC name is [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone.

Molecular Properties

• Compound Name: [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
• PubChem CID: 158851984
• Molecular Formula: C121H149F3N22O6
• Molecular Weight: 2064.66 g/mol
• Exact Mass: 2063.20
• IUPAC Name: [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
• SMILES: CC1CCCCCN1C(=O)c1cc(CC2CCCCC2)n2nc(-c3ccccc3F)cc2n1.CC1CCCCCN1C(=O)c1cc(N2CCCC2)n2nc(-c3ccc(N(C)C)cc3)cc2n1.CCCCC(C)N(C)C(=O)c1cc(CC)n2nc(-c3ccccc3F)cc2n1.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CO)cc3)nn12.CCc1cc(C(=O)N2CCCCCCC2C)nc2cc(-c3ccccc3F)nn12
• InChI: InChI=1S/C27H33FN4O.C26H34N6O.C23H27FN4O.C23H28N4O2.C22H27FN4O/c1-19-10-4-3-9-15-31(19)27(33)25-17-21(16-20-11-5-2-6-12-20)32-26(29-25)18-24(30-32)22-13-7-8-14-23(22)28;1-19-9-5-4-6-16-31(19)26(33)23-18-25(30-14-7-8-15-30)32-24(27-23)17-22(28-32)20-10-12-21(13-11-20)29(2)3;1-3-17-14-21(23(29)27-13-9-5-4-6-10-16(27)2)25-22-15-20(26-28(17)22)18-11-7-8-12-19(18)24;1-3-19-13-21(23(29)26-12-6-4-5-7-16(26)2)24-22-14-20(25-27(19)22)18-10-8-17(15-28)9-11-18;1-5-7-10-15(3)26(4)22(28)20-13-16(6-2)27-21(24-20)14-19(25-27)17-11-8-9-12-18(17)23/h7-8,13-14,17-20H,2-6,9-12,15-16H2,1H3;10-13,17-19H,4-9,14-16H2,1-3H3;7-8,11-12,14-16H,3-6,9-10,13H2,1-2H3;8-11,13-14,16,28H,3-7,12,15H2,1-2H3;8-9,11-15H,5-7,10H2,1-4H3
• InChIKey: IZOMDEYNWFGHQI-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 279.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.66
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The IUPAC name of [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone (CID 158851984) is [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone.

What is the SMILES notation for [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The canonical SMILES for [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone is CC1CCCCCN1C(=O)c1cc(CC2CCCCC2)n2nc(-c3ccccc3F)cc2n1.CC1CCCCCN1C(=O)c1cc(N2CCCC2)n2nc(-c3ccc(N(C)C)cc3)cc2n1.CCCCC(C)N(C)C(=O)c1cc(CC)n2nc(-c3ccccc3F)cc2n1.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CO)cc3)nn12.CCc1cc(C(=O)N2CCCCCCC2C)nc2cc(-c3ccccc3F)nn12.

What is the InChIKey of [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The InChIKey is IZOMDEYNWFGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O.C26H34N6O.C23H27FN4O.C23H28N4O2.C22H27FN4O/c1-19-10-4-3-9-15-31(19)27(33)25-17-21(16-20-11-5-2-6-12-20)32-26(29-25)18-24(30-32)22-13-7-8-14-23(22)28;1-19-9-5-4-6-16-31(19)26(33)23-18-25(30-14-7-8-15-30)32-24(27-23)17-22(28-32)20-10-12-21(13-11-20)29(2)3;1-3-17-14-21(23(29)27-13-9-5-4-6-10-16(27)2)25-22-15-20(26-28(17)22)18-11-7-8-12-19(18)24;1-3-19-13-21(23(29)26-12-6-4-5-7-16(26)2)24-22-14-20(25-27(19)22)18-10-8-17(15-28)9-11-18;1-5-7-10-15(3)26(4)22(28)20-13-16(6-2)27-21(24-20)14-19(25-27)17-11-8-9-12-18(17)23/h7-8,13-14,17-20H,2-6,9-12,15-16H2,1H3;10-13,17-19H,4-9,14-16H2,1-3H3;7-8,11-12,14-16H,3-6,9-10,13H2,1-2H3;8-11,13-14,16,28H,3-7,12,15H2,1-2H3;8-9,11-15H,5-7,10H2,1-4H3.

What are the key properties of [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

[7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone has a molecular weight of 2064.66 g/mol, XLogP of 24.03, 22 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(cyclohexylmethyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;7-ethyl-2-(2-fluorophenyl)-N-hexan-2-yl-N-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazocan-1-yl)methanone;[7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 158851984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).