[2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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

C122H153ClF2N24O6 — CID 161132004

IUPAC[2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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
SMILESCC1CCCCCN1C(=O)c1cc(CC2CCCCC2)n2nc(-c3ccccc3F)cc2n1.CC1CCCCCN1C(=O)c1cc(N2CCCC2)n2nc(-c3ccc(N(C)C)cc3)cc2n1.CCCCc1nc(-c2cc3nc(C(=O)N4CCCCCC4C)cc(CC)n3n2)c(Cl)[nH]1.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CO)cc3)nn12.CCc1cc(C(=O)N2CCCCCCC2C)nc2cc(-c3ccccc3F)nn12
InChIInChI=1S/C27H33FN4O.C26H34N6O.C23H31ClN6O.C23H27FN4O.C23H28N4O2/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;1-4-6-11-19-26-21(22(24)27-19)17-14-20-25-18(13-16(5-2)30(20)28-17)23(31)29-12-9-7-8-10-15(29)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/h7-8,13-14,17-20H,2-6,9-12,15-16H2,1H3;10-13,17-19H,4-9,14-16H2,1-3H3;13-15H,4-12H2,1-3H3,(H,26,27);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
InChIKeyUMHUKWKATJMOIW-UHFFFAOYSA-N
MW2125.18 g/mol
LogP24.36
Rot. Bonds21

About [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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

[2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 161132004) has the molecular formula C122H153ClF2N24O6 and a molecular weight of 2125.18 g/mol. Its IUPAC name is [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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[2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 CID161132004
Molecular FormulaC122H153ClF2N24O6
Molecular Weight2125.18 g/mol
Exact Mass2123.21
IUPAC Name[2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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
SMILESCC1CCCCCN1C(=O)c1cc(CC2CCCCC2)n2nc(-c3ccccc3F)cc2n1.CC1CCCCCN1C(=O)c1cc(N2CCCC2)n2nc(-c3ccc(N(C)C)cc3)cc2n1.CCCCc1nc(-c2cc3nc(C(=O)N4CCCCCC4C)cc(CC)n3n2)c(Cl)[nH]1.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CO)cc3)nn12.CCc1cc(C(=O)N2CCCCCCC2C)nc2cc(-c3ccccc3F)nn12
InChIInChI=1S/C27H33FN4O.C26H34N6O.C23H31ClN6O.C23H27FN4O.C23H28N4O2/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;1-4-6-11-19-26-21(22(24)27-19)17-14-20-25-18(13-16(5-2)30(20)28-17)23(31)29-12-9-7-8-10-15(29)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/h7-8,13-14,17-20H,2-6,9-12,15-16H2,1H3;10-13,17-19H,4-9,14-16H2,1-3H3;13-15H,4-12H2,1-3H3,(H,26,27);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
InChIKeyUMHUKWKATJMOIW-UHFFFAOYSA-N
XLogP24.36
TPSA307.89 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002125.18
LogP ≤ 524.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 161132004) is [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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.CCCCc1nc(-c2cc3nc(C(=O)N4CCCCCC4C)cc(CC)n3n2)c(Cl)[nH]1.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CO)cc3)nn12.CCc1cc(C(=O)N2CCCCCCC2C)nc2cc(-c3ccccc3F)nn12.
What is the InChIKey of [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 UMHUKWKATJMOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O.C26H34N6O.C23H31ClN6O.C23H27FN4O.C23H28N4O2/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;1-4-6-11-19-26-21(22(24)27-19)17-14-20-25-18(13-16(5-2)30(20)28-17)23(31)29-12-9-7-8-10-15(29)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/h7-8,13-14,17-20H,2-6,9-12,15-16H2,1H3;10-13,17-19H,4-9,14-16H2,1-3H3;13-15H,4-12H2,1-3H3,(H,26,27);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.
What are the key properties of [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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?
[2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 2125.18 g/mol, XLogP of 24.36, 21 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[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)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 161132004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).