[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

C99H122F2N18O5 — CID 160597400

IUPAC[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.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CO)cc3)nn12.CCc1cc(C(=O)N2CCCCCCC2C)nc2cc(-c3ccccc3F)nn12
InChIInChI=1S/C27H33FN4O.C26H34N6O.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;1-3-17-14-21(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;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
InChIKeyRDUVYMXUQFMXNZ-UHFFFAOYSA-N
MW1682.18 g/mol
LogP19.28
Rot. Bonds15

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)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)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 160597400) has the molecular formula C99H122F2N18O5 and a molecular weight of 1682.18 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)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)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 CID160597400
Molecular FormulaC99H122F2N18O5
Molecular Weight1682.18 g/mol
Exact Mass1680.98
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)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.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CO)cc3)nn12.CCc1cc(C(=O)N2CCCCCCC2C)nc2cc(-c3ccccc3F)nn12
InChIInChI=1S/C27H33FN4O.C26H34N6O.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;1-3-17-14-21(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;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
InChIKeyRDUVYMXUQFMXNZ-UHFFFAOYSA-N
XLogP19.28
TPSA228.71 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.18
LogP ≤ 519.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze [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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)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)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 160597400) 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)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)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)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.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)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 RDUVYMXUQFMXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O.C26H34N6O.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;1-3-17-14-21(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;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 [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?
[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 1682.18 g/mol, XLogP of 19.28, 15 rotatable bonds, 1 hydrogen bond donors, and 19 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)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 160597400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).