3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one

C43H42N8O5 — CID 118165916

IUPAC3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one
SMILESCC(C)N1CCN(c2ccc3cc(-c4cc5ccccn5n4)c(=O)oc3c2)CC1.O=c1oc2cc(OC3CCNCC3)ccc2cc1-c1cn2cccnc2n1
InChIInChI=1S/C23H24N4O2.C20H18N4O3/c1-16(2)25-9-11-26(12-10-25)18-7-6-17-13-20(23(28)29-22(17)15-18)21-14-19-5-3-4-8-27(19)24-21;25-19-16(17-12-24-9-1-6-22-20(24)23-17)10-13-2-3-15(11-18(13)27-19)26-14-4-7-21-8-5-14/h3-8,13-16H,9-12H2,1-2H3;1-3,6,9-12,14,21H,4-5,7-8H2
InChIKeyQDLXGAAGFHICLP-UHFFFAOYSA-N
MW750.86 g/mol
LogP6.27
Rot. Bonds6

About 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one

3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one (PubChem CID 118165916) has the molecular formula C43H42N8O5 and a molecular weight of 750.86 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one
PubChem CID118165916
Molecular FormulaC43H42N8O5
Molecular Weight750.86 g/mol
Exact Mass750.33
IUPAC Name3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one
SMILESCC(C)N1CCN(c2ccc3cc(-c4cc5ccccn5n4)c(=O)oc3c2)CC1.O=c1oc2cc(OC3CCNCC3)ccc2cc1-c1cn2cccnc2n1
InChIInChI=1S/C23H24N4O2.C20H18N4O3/c1-16(2)25-9-11-26(12-10-25)18-7-6-17-13-20(23(28)29-22(17)15-18)21-14-19-5-3-4-8-27(19)24-21;25-19-16(17-12-24-9-1-6-22-20(24)23-17)10-13-2-3-15(11-18(13)27-19)26-14-4-7-21-8-5-14/h3-8,13-16H,9-12H2,1-2H3;1-3,6,9-12,14,21H,4-5,7-8H2
InChIKeyQDLXGAAGFHICLP-UHFFFAOYSA-N
XLogP6.27
TPSA135.65 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.86
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one?
The IUPAC name of 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one (CID 118165916) is 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one.
What is the SMILES notation for 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one?
The canonical SMILES for 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one is CC(C)N1CCN(c2ccc3cc(-c4cc5ccccn5n4)c(=O)oc3c2)CC1.O=c1oc2cc(OC3CCNCC3)ccc2cc1-c1cn2cccnc2n1.
What is the InChIKey of 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one?
The InChIKey is QDLXGAAGFHICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C20H18N4O3/c1-16(2)25-9-11-26(12-10-25)18-7-6-17-13-20(23(28)29-22(17)15-18)21-14-19-5-3-4-8-27(19)24-21;25-19-16(17-12-24-9-1-6-22-20(24)23-17)10-13-2-3-15(11-18(13)27-19)26-14-4-7-21-8-5-14/h3-8,13-16H,9-12H2,1-2H3;1-3,6,9-12,14,21H,4-5,7-8H2.
What are the key properties of 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one?
3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one has a molecular weight of 750.86 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyrimidin-2-yl-7-piperidin-4-yloxychromen-2-one;7-(4-propan-2-ylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one is sourced from PubChem (CID 118165916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).