(4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one

C25H28ClN3O3 — CID 161108495

IUPAC(4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one
SMILESCO[C@H](C)CCC(=O)c1ccc2nn(CC3CN(C(=O)c4ccc(Cl)cc4)C3)cc2c1C
InChIInChI=1S/C25H28ClN3O3/c1-16(32-3)4-11-24(30)21-9-10-23-22(17(21)2)15-29(27-23)14-18-12-28(13-18)25(31)19-5-7-20(26)8-6-19/h5-10,15-16,18H,4,11-14H2,1-3H3/t16-/m1/s1
InChIKeyZOAXBYRYJVBQLJ-MRXNPFEDSA-N
MW453.97 g/mol
LogP4.77
Rot. Bonds8

About (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one

(4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one (PubChem CID 161108495) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one.

Molecular Properties

Compound Name(4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one
PubChem CID161108495
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC Name(4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one
SMILESCO[C@H](C)CCC(=O)c1ccc2nn(CC3CN(C(=O)c4ccc(Cl)cc4)C3)cc2c1C
InChIInChI=1S/C25H28ClN3O3/c1-16(32-3)4-11-24(30)21-9-10-23-22(17(21)2)15-29(27-23)14-18-12-28(13-18)25(31)19-5-7-20(26)8-6-19/h5-10,15-16,18H,4,11-14H2,1-3H3/t16-/m1/s1
InChIKeyZOAXBYRYJVBQLJ-MRXNPFEDSA-N
XLogP4.77
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one with MolForge

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Related Compounds

1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-(cyclopropylmethoxy)butan-1-one
CID 157058657
2-[[1-[4-(4-chlorophenoxy)benzoyl]azetidin-3-yl]methyl]-N-[(2R)-2-cyclobutyloxypropyl]-4-methylindazole-5-carboxamide
CID 86292791
2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide
CID 71582294
4-(cyclopropylmethoxy)-1-[2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-4-yl]methyl]-4-methylindazol-5-yl]pentan-1-one
CID 148882603
1-[2-[[1-[3-fluoro-4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxybutan-1-one
CID 152999370
4-methoxy-1-[6-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]azetidin-3-yl]methyl]indazol-5-yl]pentan-1-one
CID 148943985
1-[2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazol-5-yl]-3-(1,4-dioxan-2-yl)propan-1-one
CID 157341417
1-[4-methyl-2-[[1-[4-(pentafluoro-λ6-sulfanyl)benzoyl]azetidin-3-yl]methyl]indazol-5-yl]-4-(trifluoromethylsulfanyl)butan-1-one
CID 157237939
N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide
CID 129157799
1-[2-[[1-(4-cyclopropylbenzoyl)piperidin-4-yl]methyl]-4-methylindazol-5-yl]-4-methoxybutan-1-one
CID 160980692
4-methyl-N-(2,2,2-trifluoroethyl)-2-[[1-[4-(trifluoromethoxy)benzoyl]azetidin-3-yl]methyl]indazole-5-carboxamide
CID 71582132
4-methoxy-1-[4-methyl-2-[[(3S)-1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]pyrrolidin-3-yl]methyl]indazol-5-yl]butan-1-one
CID 159622719

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one?
The IUPAC name of (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one (CID 161108495) is (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one.
What is the SMILES notation for (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one?
The canonical SMILES for (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one is CO[C@H](C)CCC(=O)c1ccc2nn(CC3CN(C(=O)c4ccc(Cl)cc4)C3)cc2c1C.
What is the InChIKey of (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one?
The InChIKey is ZOAXBYRYJVBQLJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c1-16(32-3)4-11-24(30)21-9-10-23-22(17(21)2)15-29(27-23)14-18-12-28(13-18)25(31)19-5-7-20(26)8-6-19/h5-10,15-16,18H,4,11-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one?
(4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one has a molecular weight of 453.97 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methylindazol-5-yl]-4-methoxypentan-1-one is sourced from PubChem (CID 161108495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).