[7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C119H111Cl2FN26O10 — CID 159183648

IUPAC[7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccc(F)nc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccccn3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccnc(Cl)c3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccncc3Cl)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3cncnc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/2C24H22ClN5O2.C24H22FN5O2.C24H23N5O2.C23H22N6O2/c1-32-18-7-5-16(6-8-18)19-14-21(17-9-10-26-22(25)13-17)30-23(27-19)15-20(28-30)24(31)29-11-3-2-4-12-29;1-32-17-7-5-16(6-8-17)20-13-22(18-9-10-26-15-19(18)25)30-23(27-20)14-21(28-30)24(31)29-11-3-2-4-12-29;1-32-18-8-5-16(6-9-18)19-13-21(17-7-10-22(25)26-15-17)30-23(27-19)14-20(28-30)24(31)29-11-3-2-4-12-29;1-31-18-10-8-17(9-11-18)20-15-22(19-7-3-4-12-25-19)29-23(26-20)16-21(27-29)24(30)28-13-5-2-6-14-28;1-31-18-7-5-16(6-8-18)19-11-21(17-13-24-15-25-14-17)29-22(26-19)12-20(27-29)23(30)28-9-3-2-4-10-28/h3*5-10,13-15H,2-4,11-12H2,1H3;3-4,7-12,15-16H,2,5-6,13-14H2,1H3;5-8,11-15H,2-4,9-10H2,1H3
InChIKeyKNFBWZRDVCHRPJ-UHFFFAOYSA-N
MW2155.27 g/mol
LogP21.31
Rot. Bonds20

About [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

[7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 159183648) has the molecular formula C119H111Cl2FN26O10 and a molecular weight of 2155.27 g/mol. Its IUPAC name is [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID159183648
Molecular FormulaC119H111Cl2FN26O10
Molecular Weight2155.27 g/mol
Exact Mass2152.83
IUPAC Name[7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccc(F)nc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccccn3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccnc(Cl)c3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccncc3Cl)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3cncnc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/2C24H22ClN5O2.C24H22FN5O2.C24H23N5O2.C23H22N6O2/c1-32-18-7-5-16(6-8-18)19-14-21(17-9-10-26-22(25)13-17)30-23(27-19)15-20(28-30)24(31)29-11-3-2-4-12-29;1-32-17-7-5-16(6-8-17)20-13-22(18-9-10-26-15-19(18)25)30-23(27-20)14-21(28-30)24(31)29-11-3-2-4-12-29;1-32-18-8-5-16(6-9-18)19-13-21(17-7-10-22(25)26-15-17)30-23(27-19)14-20(28-30)24(31)29-11-3-2-4-12-29;1-31-18-10-8-17(9-11-18)20-15-22(19-7-3-4-12-25-19)29-23(26-20)16-21(27-29)24(30)28-13-5-2-6-14-28;1-31-18-7-5-16(6-8-18)19-11-21(17-13-24-15-25-14-17)29-22(26-19)12-20(27-29)23(30)28-9-3-2-4-10-28/h3*5-10,13-15H,2-4,11-12H2,1H3;3-4,7-12,15-16H,2,5-6,13-14H2,1H3;5-8,11-15H,2-4,9-10H2,1H3
InChIKeyKNFBWZRDVCHRPJ-UHFFFAOYSA-N
XLogP21.31
TPSA375.99 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002155.27
LogP ≤ 521.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 159183648) is [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(-c3ccc(F)nc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccccn3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccnc(Cl)c3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3ccncc3Cl)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(-c2cc(-c3cncnc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is KNFBWZRDVCHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22ClN5O2.C24H22FN5O2.C24H23N5O2.C23H22N6O2/c1-32-18-7-5-16(6-8-18)19-14-21(17-9-10-26-22(25)13-17)30-23(27-19)15-20(28-30)24(31)29-11-3-2-4-12-29;1-32-17-7-5-16(6-8-17)20-13-22(18-9-10-26-15-19(18)25)30-23(27-20)14-21(28-30)24(31)29-11-3-2-4-12-29;1-32-18-8-5-16(6-9-18)19-13-21(17-7-10-22(25)26-15-17)30-23(27-19)14-20(28-30)24(31)29-11-3-2-4-12-29;1-31-18-10-8-17(9-11-18)20-15-22(19-7-3-4-12-25-19)29-23(26-20)16-21(27-29)24(30)28-13-5-2-6-14-28;1-31-18-7-5-16(6-8-18)19-11-21(17-13-24-15-25-14-17)29-22(26-19)12-20(27-29)23(30)28-9-3-2-4-10-28/h3*5-10,13-15H,2-4,11-12H2,1H3;3-4,7-12,15-16H,2,5-6,13-14H2,1H3;5-8,11-15H,2-4,9-10H2,1H3.
What are the key properties of [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2155.27 g/mol, XLogP of 21.31, 20 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159183648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).