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

C24H30N6O3 — CID 59258676

IUPACN-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(CN4CCOCC4)nc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C24H30N6O3/c1-16-17(2)25-21-4-3-18(13-20(16)21)26-23(31)22-14-19(15-29-5-9-32-10-6-29)27-24(28-22)30-7-11-33-12-8-30/h3-4,13-14,25H,5-12,15H2,1-2H3,(H,26,31)
InChIKeyFAGZBKVUPSKNDN-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.50
Rot. Bonds5

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

N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 59258676) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID59258676
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(CN4CCOCC4)nc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C24H30N6O3/c1-16-17(2)25-21-4-3-18(13-20(16)21)26-23(31)22-14-19(15-29-5-9-32-10-6-29)27-24(28-22)30-7-11-33-12-8-30/h3-4,13-14,25H,5-12,15H2,1-2H3,(H,26,31)
InChIKeyFAGZBKVUPSKNDN-UHFFFAOYSA-N
XLogP2.50
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide (CID 59258676) is N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide is Cc1[nH]c2ccc(NC(=O)c3cc(CN4CCOCC4)nc(N4CCOCC4)n3)cc2c1C.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is FAGZBKVUPSKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-16-17(2)25-21-4-3-18(13-20(16)21)26-23(31)22-14-19(15-29-5-9-32-10-6-29)27-24(28-22)30-7-11-33-12-8-30/h3-4,13-14,25H,5-12,15H2,1-2H3,(H,26,31).
What are the key properties of N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide?
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59258676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).