1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C27H30N4O3 — CID 25054289

IUPAC1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCOC[C@H]1CCCN1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C27H30N4O3/c1-33-20-24-8-5-12-29(24)14-15-31-26-10-9-23(16-22(26)18-28-31)30-13-11-25(17-27(30)32)34-19-21-6-3-2-4-7-21/h2-4,6-7,9-11,13,16-18,24H,5,8,12,14-15,19-20H2,1H3/t24-/m1/s1
InChIKeyRKFUUDHVACYQEP-XMMPIXPASA-N
MW458.56 g/mol
LogP3.88
Rot. Bonds9

About 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25054289) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25054289
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCOC[C@H]1CCCN1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C27H30N4O3/c1-33-20-24-8-5-12-29(24)14-15-31-26-10-9-23(16-22(26)18-28-31)30-13-11-25(17-27(30)32)34-19-21-6-3-2-4-7-21/h2-4,6-7,9-11,13,16-18,24H,5,8,12,14-15,19-20H2,1H3/t24-/m1/s1
InChIKeyRKFUUDHVACYQEP-XMMPIXPASA-N
XLogP3.88
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25054289) is 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is COC[C@H]1CCCN1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.
What is the InChIKey of 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is RKFUUDHVACYQEP-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30N4O3/c1-33-20-24-8-5-12-29(24)14-15-31-26-10-9-23(16-22(26)18-28-31)30-13-11-25(17-27(30)32)34-19-21-6-3-2-4-7-21/h2-4,6-7,9-11,13,16-18,24H,5,8,12,14-15,19-20H2,1H3/t24-/m1/s1.
What are the key properties of 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 458.56 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25054289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).