(4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one

C25H31N5O4 — CID 139324963

IUPAC(4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(OC(C)[C@H]3CNC(=O)C3)cc(-c3cnn([C@H]4COC5CCCO[C@@H]54)c3)cc2nn1C
InChIInChI=1S/C25H31N5O4/c1-14-24-19(28-29(14)3)7-16(8-22(24)34-15(2)17-9-23(31)26-10-17)18-11-27-30(12-18)20-13-33-21-5-4-6-32-25(20)21/h7-8,11-12,15,17,20-21,25H,4-6,9-10,13H2,1-3H3,(H,26,31)/t15?,17-,20+,21?,25-/m1/s1
InChIKeyQBVQYGZHFSHGTQ-MEFPPBIVSA-N
MW465.55 g/mol
LogP2.77
Rot. Bonds5

About (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 139324963) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID139324963
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name(4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(OC(C)[C@H]3CNC(=O)C3)cc(-c3cnn([C@H]4COC5CCCO[C@@H]54)c3)cc2nn1C
InChIInChI=1S/C25H31N5O4/c1-14-24-19(28-29(14)3)7-16(8-22(24)34-15(2)17-9-23(31)26-10-17)18-11-27-30(12-18)20-13-33-21-5-4-6-32-25(20)21/h7-8,11-12,15,17,20-21,25H,4-6,9-10,13H2,1-3H3,(H,26,31)/t15?,17-,20+,21?,25-/m1/s1
InChIKeyQBVQYGZHFSHGTQ-MEFPPBIVSA-N
XLogP2.77
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5r)-5-[(1r)-1-{[6-(1-Methyl-1h-Pyrazol-4-Yl)-2,1-Benzothiazol-4-Yl]oxy}ethyl]-1,3-Oxazolidin-2-One
CID 91885527
(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238417
2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 71238651
(4R)-4-[(1R)-1-[7-(1-methylindazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241911
(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241918
(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241980
(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241988
(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241989
US9914735, Example 41
CID 118401365
US10155751, Example 1
CID 126664227
(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191642
(4R)-4-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-2,1-benzothiazol-4-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191644

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 139324963) is (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one is Cc1c2c(OC(C)[C@H]3CNC(=O)C3)cc(-c3cnn([C@H]4COC5CCCO[C@@H]54)c3)cc2nn1C.
What is the InChIKey of (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is QBVQYGZHFSHGTQ-MEFPPBIVSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-14-24-19(28-29(14)3)7-16(8-22(24)34-15(2)17-9-23(31)26-10-17)18-11-27-30(12-18)20-13-33-21-5-4-6-32-25(20)21/h7-8,11-12,15,17,20-21,25H,4-6,9-10,13H2,1-3H3,(H,26,31)/t15?,17-,20+,21?,25-/m1/s1.
What are the key properties of (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 465.55 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[6-[1-[(3S,3aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl]pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 139324963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).