(4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

C22H24N6O2 — CID 118401368

IUPAC(4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(c2)c(N)nn3C)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H24N6O2/c1-12(15-9-21(29)24-10-15)30-20-8-14(7-18-17(20)11-27(2)25-18)13-4-5-19-16(6-13)22(23)26-28(19)3/h4-8,11-12,15H,9-10H2,1-3H3,(H2,23,26)(H,24,29)/t12-,15-/m1/s1
InChIKeyIMHZWEFYHOSZGU-IUODEOHRSA-N
MW404.47 g/mol
LogP2.61
Rot. Bonds4

About (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401368) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401368
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name(4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(c2)c(N)nn3C)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H24N6O2/c1-12(15-9-21(29)24-10-15)30-20-8-14(7-18-17(20)11-27(2)25-18)13-4-5-19-16(6-13)22(23)26-28(19)3/h4-8,11-12,15H,9-10H2,1-3H3,(H2,23,26)(H,24,29)/t12-,15-/m1/s1
InChIKeyIMHZWEFYHOSZGU-IUODEOHRSA-N
XLogP2.61
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401368) is (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc3c(c2)c(N)nn3C)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is IMHZWEFYHOSZGU-IUODEOHRSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-12(15-9-21(29)24-10-15)30-20-8-14(7-18-17(20)11-27(2)25-18)13-4-5-19-16(6-13)22(23)26-28(19)3/h4-8,11-12,15H,9-10H2,1-3H3,(H2,23,26)(H,24,29)/t12-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 404.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).