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

C22H23N5O2 — CID 135559057

IUPACN-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
SMILESCNC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C22H23N5O2/c1-23-22(28)15-3-4-17-19(11-15)25-26-21(17)20-12-16-10-14(2-5-18(16)24-20)13-27-6-8-29-9-7-27/h2-5,10-12,24H,6-9,13H2,1H3,(H,23,28)(H,25,26)
InChIKeyRXOGENJPRMPUAI-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.90
Rot. Bonds4

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

N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide (PubChem CID 135559057) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
PubChem CID135559057
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
SMILESCNC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C22H23N5O2/c1-23-22(28)15-3-4-17-19(11-15)25-26-21(17)20-12-16-10-14(2-5-18(16)24-20)13-27-6-8-29-9-7-27/h2-5,10-12,24H,6-9,13H2,1H3,(H,23,28)(H,25,26)
InChIKeyRXOGENJPRMPUAI-UHFFFAOYSA-N
XLogP2.90
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The IUPAC name of N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide (CID 135559057) is N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide is CNC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1.
What is the InChIKey of N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The InChIKey is RXOGENJPRMPUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-23-22(28)15-3-4-17-19(11-15)25-26-21(17)20-12-16-10-14(2-5-18(16)24-20)13-27-6-8-29-9-7-27/h2-5,10-12,24H,6-9,13H2,1H3,(H,23,28)(H,25,26).
What are the key properties of N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 135559057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).