N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide

C23H25N5O2 — CID 135559058

IUPACN,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C23H25N5O2/c1-27(2)23(29)16-4-5-18-20(12-16)25-26-22(18)21-13-17-11-15(3-6-19(17)24-21)14-28-7-9-30-10-8-28/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,26)
InChIKeyMXXHMCILDONGHI-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.25
Rot. Bonds4

About N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide

N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide (PubChem CID 135559058) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
PubChem CID135559058
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C23H25N5O2/c1-27(2)23(29)16-4-5-18-20(12-16)25-26-22(18)21-13-17-11-15(3-6-19(17)24-21)14-28-7-9-30-10-8-28/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,26)
InChIKeyMXXHMCILDONGHI-UHFFFAOYSA-N
XLogP3.25
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The IUPAC name of N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide (CID 135559058) is N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide is CN(C)C(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1.
What is the InChIKey of N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The InChIKey is MXXHMCILDONGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27(2)23(29)16-4-5-18-20(12-16)25-26-22(18)21-13-17-11-15(3-6-19(17)24-21)14-28-7-9-30-10-8-28/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,26).
What are the key properties of N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 135559058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).