N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C25H32N6O2 — CID 59258668

IUPACN-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1c[nH]c2ccc(NC(=O)c3cc(N4CCC(C)CC4)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C25H32N6O2/c1-3-18-16-26-21-5-4-19(14-20(18)21)27-24(32)22-15-23(30-8-6-17(2)7-9-30)29-25(28-22)31-10-12-33-13-11-31/h4-5,14-17,26H,3,6-13H2,1-2H3,(H,27,32)
InChIKeyCTRMHDWGNLLPBC-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.85
Rot. Bonds5

About N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 59258668) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID59258668
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1c[nH]c2ccc(NC(=O)c3cc(N4CCC(C)CC4)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C25H32N6O2/c1-3-18-16-26-21-5-4-19(14-20(18)21)27-24(32)22-15-23(30-8-6-17(2)7-9-30)29-25(28-22)31-10-12-33-13-11-31/h4-5,14-17,26H,3,6-13H2,1-2H3,(H,27,32)
InChIKeyCTRMHDWGNLLPBC-UHFFFAOYSA-N
XLogP3.85
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 59258668) is N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CCc1c[nH]c2ccc(NC(=O)c3cc(N4CCC(C)CC4)nc(N4CCOCC4)n3)cc12.
What is the InChIKey of N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is CTRMHDWGNLLPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-3-18-16-26-21-5-4-19(14-20(18)21)27-24(32)22-15-23(30-8-6-17(2)7-9-30)29-25(28-22)31-10-12-33-13-11-31/h4-5,14-17,26H,3,6-13H2,1-2H3,(H,27,32).
What are the key properties of N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59258668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).