N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide

C21H21N5O2 — CID 44540403

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)C1
InChIInChI=1S/C21H21N5O2/c1-26-7-8-28-20(12-26)21(27)24-18-9-13(10-19-16(18)11-23-25-19)14-3-2-4-17-15(14)5-6-22-17/h2-6,9-11,20,22H,7-8,12H2,1H3,(H,23,25)(H,24,27)
InChIKeyRGMGHVMUSBVCJW-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.98
Rot. Bonds3

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 44540403) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide
PubChem CID44540403
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)C1
InChIInChI=1S/C21H21N5O2/c1-26-7-8-28-20(12-26)21(27)24-18-9-13(10-19-16(18)11-23-25-19)14-3-2-4-17-15(14)5-6-22-17/h2-6,9-11,20,22H,7-8,12H2,1H3,(H,23,25)(H,24,27)
InChIKeyRGMGHVMUSBVCJW-UHFFFAOYSA-N
XLogP2.98
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 132186817
CID 135559059
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CID 135559060
CID 135559060
CID 44419980
CID 44419980
CID 10120530
CID 10120530
CID 44419987
CID 44419987
CID 44540407
CID 44540407
CID 44540492
CID 44540492
CID 132186583
CID 132186583
CID 137250528
CID 137250528
CID 141763973
CID 141763973
CID 24790452
CID 24790452

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide (CID 44540403) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)C1.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is RGMGHVMUSBVCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26-7-8-28-20(12-26)21(27)24-18-9-13(10-19-16(18)11-23-25-19)14-3-2-4-17-15(14)5-6-22-17/h2-6,9-11,20,22H,7-8,12H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 44540403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).