(4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C26H32N4O4 — CID 122497065

IUPAC(4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC1CCCCC1
InChIInChI=1S/C26H32N4O4/c1-16(18-12-25(31)27-14-18)33-26-20-15-30(2)29-22(20)13-21(28-26)17-9-10-23(24(11-17)32-3)34-19-7-5-4-6-8-19/h9-11,13,15-16,18-19H,4-8,12,14H2,1-3H3,(H,27,31)/t16-,18-/m1/s1
InChIKeyGVFQMWOGKVYLGE-SJLPKXTDSA-N
MW464.57 g/mol
LogP4.26
Rot. Bonds7

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

(4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 122497065) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID122497065
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name(4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC1CCCCC1
InChIInChI=1S/C26H32N4O4/c1-16(18-12-25(31)27-14-18)33-26-20-15-30(2)29-22(20)13-21(28-26)17-9-10-23(24(11-17)32-3)34-19-7-5-4-6-8-19/h9-11,13,15-16,18-19H,4-8,12,14H2,1-3H3,(H,27,31)/t16-,18-/m1/s1
InChIKeyGVFQMWOGKVYLGE-SJLPKXTDSA-N
XLogP4.26
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 53310839
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CID 53310841
CID 53310841
CID 57404068
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CID 118386410
CID 118386410
CID 91885526
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CID 25120500
CID 25120500
CID 57401808
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CID 9550757
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CID 118613633

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 122497065) is (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC1CCCCC1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GVFQMWOGKVYLGE-SJLPKXTDSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-16(18-12-25(31)27-14-18)33-26-20-15-30(2)29-22(20)13-21(28-26)17-9-10-23(24(11-17)32-3)34-19-7-5-4-6-8-19/h9-11,13,15-16,18-19H,4-8,12,14H2,1-3H3,(H,27,31)/t16-,18-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 464.57 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 122497065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).