[1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone

C28H30N4O3 — CID 142501777

IUPAC[1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone
SMILESCCn1nc(-c2ccc(-c3cc(C(C)(C)O)ccn3)cc2)c2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C28H30N4O3/c1-4-32-25-10-9-21(27(33)31-13-15-35-16-14-31)17-23(25)26(30-32)20-7-5-19(6-8-20)24-18-22(11-12-29-24)28(2,3)34/h5-12,17-18,34H,4,13-16H2,1-3H3
InChIKeyYLLNMXNTLHHUIY-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.49
Rot. Bonds5

About [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone

[1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 142501777) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone
PubChem CID142501777
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name[1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone
SMILESCCn1nc(-c2ccc(-c3cc(C(C)(C)O)ccn3)cc2)c2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C28H30N4O3/c1-4-32-25-10-9-21(27(33)31-13-15-35-16-14-31)17-23(25)26(30-32)20-7-5-19(6-8-20)24-18-22(11-12-29-24)28(2,3)34/h5-12,17-18,34H,4,13-16H2,1-3H3
InChIKeyYLLNMXNTLHHUIY-UHFFFAOYSA-N
XLogP4.49
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367847
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367091
1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea
CID 74247537
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 126726272
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
CID 58585961
[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone
CID 137367126
(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone
CID 110486128
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone (CID 142501777) is [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone is CCn1nc(-c2ccc(-c3cc(C(C)(C)O)ccn3)cc2)c2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is YLLNMXNTLHHUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-4-32-25-10-9-21(27(33)31-13-15-35-16-14-31)17-23(25)26(30-32)20-7-5-19(6-8-20)24-18-22(11-12-29-24)28(2,3)34/h5-12,17-18,34H,4,13-16H2,1-3H3.
What are the key properties of [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone?
[1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 470.57 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 142501777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).