4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine

C28H30N8O — CID 164614290

IUPAC4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3ccc(N4CCOCC4)c(-n4cnc(C5CC5)c4)c3)c2c1
InChIInChI=1S/C28H30N8O/c1-18(2)36-17-30-33-28(36)21-5-7-23-22(13-21)27(32-31-23)20-6-8-25(34-9-11-37-12-10-34)26(14-20)35-15-24(29-16-35)19-3-4-19/h5-8,13-19H,3-4,9-12H2,1-2H3,(H,31,32)
InChIKeySKCKODMQNKHQBI-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.97
Rot. Bonds6

About 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine

4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine (PubChem CID 164614290) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine
PubChem CID164614290
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC Name4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3ccc(N4CCOCC4)c(-n4cnc(C5CC5)c4)c3)c2c1
InChIInChI=1S/C28H30N8O/c1-18(2)36-17-30-33-28(36)21-5-7-23-22(13-21)27(32-31-23)20-6-8-25(34-9-11-37-12-10-34)26(14-20)35-15-24(29-16-35)19-3-4-19/h5-8,13-19H,3-4,9-12H2,1-2H3,(H,31,32)
InChIKeySKCKODMQNKHQBI-UHFFFAOYSA-N
XLogP4.97
TPSA89.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine?
The IUPAC name of 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine (CID 164614290) is 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine is CC(C)n1cnnc1-c1ccc2[nH]nc(-c3ccc(N4CCOCC4)c(-n4cnc(C5CC5)c4)c3)c2c1.
What is the InChIKey of 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine?
The InChIKey is SKCKODMQNKHQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-18(2)36-17-30-33-28(36)21-5-7-23-22(13-21)27(32-31-23)20-6-8-25(34-9-11-37-12-10-34)26(14-20)35-15-24(29-16-35)19-3-4-19/h5-8,13-19H,3-4,9-12H2,1-2H3,(H,31,32).
What are the key properties of 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine?
4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine has a molecular weight of 494.60 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 164614290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).