N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide

C27H34N6O3 — CID 140554892

IUPACN-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)CN(C(=O)c1cc3c(CN4CCCCC4)n[nH]c3cc1O)C2
InChIInChI=1S/C27H34N6O3/c1-31(2)11-8-28-26(35)18-6-7-19-15-33(16-20(19)12-18)27(36)22-13-21-23(14-25(22)34)29-30-24(21)17-32-9-4-3-5-10-32/h6-7,12-14,34H,3-5,8-11,15-17H2,1-2H3,(H,28,35)(H,29,30)
InChIKeyKGUPULOCVRKZRZ-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide (PubChem CID 140554892) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide
PubChem CID140554892
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)CN(C(=O)c1cc3c(CN4CCCCC4)n[nH]c3cc1O)C2
InChIInChI=1S/C27H34N6O3/c1-31(2)11-8-28-26(35)18-6-7-19-15-33(16-20(19)12-18)27(36)22-13-21-23(14-25(22)34)29-30-24(21)17-32-9-4-3-5-10-32/h6-7,12-14,34H,3-5,8-11,15-17H2,1-2H3,(H,28,35)(H,29,30)
InChIKeyKGUPULOCVRKZRZ-UHFFFAOYSA-N
XLogP2.70
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554838
1-[[6-hydroxy-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindole-2-carbonyl]-1H-indazol-3-yl]methyl]pyrrolidin-2-one
CID 162311413
1-[[5-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158757357
1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158135667
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
CID 140554893
1-[[6-hydroxy-5-[5-[2-(propan-2-ylamino)ethoxy]-1,3-dihydroisoindole-2-carbonyl]-1H-indazol-3-yl]methyl]pyrrolidin-2-one
CID 140554861
(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 173065697
[5-[3-(dimethylamino)propoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]methanone
CID 154431320
[3-(cyclopentylmethyl)-6-hydroxy-1H-indazol-5-yl]-[5-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 140554930
2-[6-hydroxy-3-(3-methylbutyl)-2H-indazole-5-carbonyl]-N-[2-(methylamino)ethyl]-1,3-dihydroisoindole-5-carboxamide
CID 136655916
[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
CID 140554941
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
CID 140554831

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide (CID 140554892) is N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide is CN(C)CCNC(=O)c1ccc2c(c1)CN(C(=O)c1cc3c(CN4CCCCC4)n[nH]c3cc1O)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is KGUPULOCVRKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-31(2)11-8-28-26(35)18-6-7-19-15-33(16-20(19)12-18)27(36)22-13-21-23(14-25(22)34)29-30-24(21)17-32-9-4-3-5-10-32/h6-7,12-14,34H,3-5,8-11,15-17H2,1-2H3,(H,28,35)(H,29,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 140554892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).