4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine

C27H28N6O2S — CID 118258055

IUPAC4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
SMILESCc1nn2ccc(OCCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C27H28N6O2S/c1-19-23(27-30-24(20-6-3-2-4-7-20)25(36-27)26-28-9-10-29-26)22-18-21(8-12-33(22)31-19)35-15-5-11-32-13-16-34-17-14-32/h2-4,6-10,12,18H,5,11,13-17H2,1H3,(H,28,29)
InChIKeyLAEXDWSUEMGOIM-UHFFFAOYSA-N
MW500.63 g/mol
LogP4.92
Rot. Bonds8

About 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine

4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine (PubChem CID 118258055) has the molecular formula C27H28N6O2S and a molecular weight of 500.63 g/mol. Its IUPAC name is 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
PubChem CID118258055
Molecular FormulaC27H28N6O2S
Molecular Weight500.63 g/mol
Exact Mass500.20
IUPAC Name4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
SMILESCc1nn2ccc(OCCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C27H28N6O2S/c1-19-23(27-30-24(20-6-3-2-4-7-20)25(36-27)26-28-9-10-29-26)22-18-21(8-12-33(22)31-19)35-15-5-11-32-13-16-34-17-14-32/h2-4,6-10,12,18H,5,11,13-17H2,1H3,(H,28,29)
InChIKeyLAEXDWSUEMGOIM-UHFFFAOYSA-N
XLogP4.92
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 56592447
CID 56592447
CID 56592448
CID 56592448
CID 86275158
CID 86275158
CID 86275160
CID 86275160
CID 86275399
CID 86275399
CID 118684960
CID 118684960
CID 118684962
CID 118684962
CID 118687898
CID 118687898
CID 124159182
CID 124159182
CID 118009816
CID 118009816
CID 118009830
CID 118009830
CID 70695371
CID 70695371

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine (CID 118258055) is 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine is Cc1nn2ccc(OCCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.
What is the InChIKey of 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine?
The InChIKey is LAEXDWSUEMGOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2S/c1-19-23(27-30-24(20-6-3-2-4-7-20)25(36-27)26-28-9-10-29-26)22-18-21(8-12-33(22)31-19)35-15-5-11-32-13-16-34-17-14-32/h2-4,6-10,12,18H,5,11,13-17H2,1H3,(H,28,29).
What are the key properties of 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine?
4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine has a molecular weight of 500.63 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine is sourced from PubChem (CID 118258055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).