(4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C23H28N4O4 — CID 118401477

IUPAC(4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(OC(C)[C@H]3CNC(=O)C3)n2)ccc1OC(C)C
InChIInChI=1S/C23H28N4O4/c1-13(2)30-20-7-6-15(8-21(20)29-5)18-10-19-17(12-27(4)26-19)23(25-18)31-14(3)16-9-22(28)24-11-16/h6-8,10,12-14,16H,9,11H2,1-5H3,(H,24,28)/t14?,16-/m1/s1
InChIKeyDVZWNAWWJTZZNH-BZSJEYESSA-N
MW424.50 g/mol
LogP3.33
Rot. Bonds7

About (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401477) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401477
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name(4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(OC(C)[C@H]3CNC(=O)C3)n2)ccc1OC(C)C
InChIInChI=1S/C23H28N4O4/c1-13(2)30-20-7-6-15(8-21(20)29-5)18-10-19-17(12-27(4)26-19)23(25-18)31-14(3)16-9-22(28)24-11-16/h6-8,10,12-14,16H,9,11H2,1-5H3,(H,24,28)/t14?,16-/m1/s1
InChIKeyDVZWNAWWJTZZNH-BZSJEYESSA-N
XLogP3.33
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401477) is (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc3nn(C)cc3c(OC(C)[C@H]3CNC(=O)C3)n2)ccc1OC(C)C.
What is the InChIKey of (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is DVZWNAWWJTZZNH-BZSJEYESSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-13(2)30-20-7-6-15(8-21(20)29-5)18-10-19-17(12-27(4)26-19)23(25-18)31-14(3)16-9-22(28)24-11-16/h6-8,10,12-14,16H,9,11H2,1-5H3,(H,24,28)/t14?,16-/m1/s1.
What are the key properties of (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 424.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).