ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C46H55N9O8 — CID 144922940

IUPACethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC.COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC.COc1ccc2[nH]cc(-c3cc4nn(C)cc4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)c2c1
InChIInChI=1S/C22H23N5O3.C22H26N4O5.C2H6/c1-12(13-6-21(28)24-9-13)30-22-17-11-27(2)26-20(17)8-19(25-22)16-10-23-18-5-4-14(29-3)7-15(16)18;1-12(14-8-20(27)23-10-14)31-22-15-11-26(2)25-17(15)9-16(24-22)13-6-18(28-3)21(30-5)19(7-13)29-4;1-2/h4-5,7-8,10-13,23H,6,9H2,1-3H3,(H,24,28);6-7,9,11-12,14H,8,10H2,1-5H3,(H,23,27);1-2H3/t12-,13-;12-,14-;/m11./s1
InChIKeyKIZLCCQAEINMJE-XDDRYFBOSA-N
MW862.00 g/mol
LogP6.62
Rot. Bonds12

About ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 144922940) has the molecular formula C46H55N9O8 and a molecular weight of 862.00 g/mol. Its IUPAC name is ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID144922940
Molecular FormulaC46H55N9O8
Molecular Weight862.00 g/mol
Exact Mass861.42
IUPAC Nameethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC.COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC.COc1ccc2[nH]cc(-c3cc4nn(C)cc4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)c2c1
InChIInChI=1S/C22H23N5O3.C22H26N4O5.C2H6/c1-12(13-6-21(28)24-9-13)30-22-17-11-27(2)26-20(17)8-19(25-22)16-10-23-18-5-4-14(29-3)7-15(16)18;1-12(14-8-20(27)23-10-14)31-22-15-11-26(2)25-17(15)9-16(24-22)13-6-18(28-3)21(30-5)19(7-13)29-4;1-2/h4-5,7-8,10-13,23H,6,9H2,1-3H3,(H,24,28);6-7,9,11-12,14H,8,10H2,1-5H3,(H,23,27);1-2H3/t12-,13-;12-,14-;/m11./s1
InChIKeyKIZLCCQAEINMJE-XDDRYFBOSA-N
XLogP6.62
TPSA190.79 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500862.00
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9914735, Example 73
CID 118386409
US9914735, Example 1
CID 118386425
US9914735, Example 52
CID 118401299
US9914735, Example 53
CID 118401300
US9914735, Example 81
CID 118401318
(4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401378
(4R)-4-[1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401477
(4R)-4-[(1R)-1-[6-(4-cyclohexyloxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 122497065
4-[1-[6-(3,4-Dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123184769
4-[1-[2-Methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123359776
4-[1-[6-(3-Methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123513170
4-[1-[6-[3-Methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123787646

Frequently Asked Questions

What is the IUPAC name of ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 144922940) is ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC.COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC.COc1ccc2[nH]cc(-c3cc4nn(C)cc4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)c2c1.
What is the InChIKey of ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is KIZLCCQAEINMJE-XDDRYFBOSA-N. The full InChI is InChI=1S/C22H23N5O3.C22H26N4O5.C2H6/c1-12(13-6-21(28)24-9-13)30-22-17-11-27(2)26-20(17)8-19(25-22)16-10-23-18-5-4-14(29-3)7-15(16)18;1-12(14-8-20(27)23-10-14)31-22-15-11-26(2)25-17(15)9-16(24-22)13-6-18(28-3)21(30-5)19(7-13)29-4;1-2/h4-5,7-8,10-13,23H,6,9H2,1-3H3,(H,24,28);6-7,9,11-12,14H,8,10H2,1-5H3,(H,23,27);1-2H3/t12-,13-;12-,14-;/m11./s1.
What are the key properties of ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 862.00 g/mol, XLogP of 6.62, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4R)-4-[(1R)-1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 144922940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).