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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Related Compounds

CID 135414445
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CID 135487516
CID 135559055
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CID 135559056
CID 135559056
CID 135559057
CID 135559057
CID 135559059
CID 135559059
CID 135559060
CID 135559060
CID 135559061
CID 135559061
CID 44419980
CID 44419980
CID 44419945
CID 44419945
CID 44419986
CID 44419986

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).