6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C26H32N6O4 — CID 59258697

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1c[nH]c2ccc(NC(=O)c3cc(N4CCC5(CC4)OCCO5)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C26H32N6O4/c1-2-18-17-27-21-4-3-19(15-20(18)21)28-24(33)22-16-23(30-25(29-22)32-9-11-34-12-10-32)31-7-5-26(6-8-31)35-13-14-36-26/h3-4,15-17,27H,2,5-14H2,1H3,(H,28,33)
InChIKeyZDQYLQYKUZMMFH-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.95
Rot. Bonds5

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 59258697) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID59258697
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1c[nH]c2ccc(NC(=O)c3cc(N4CCC5(CC4)OCCO5)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C26H32N6O4/c1-2-18-17-27-21-4-3-19(15-20(18)21)28-24(33)22-16-23(30-25(29-22)32-9-11-34-12-10-32)31-7-5-26(6-8-31)35-13-14-36-26/h3-4,15-17,27H,2,5-14H2,1H3,(H,28,33)
InChIKeyZDQYLQYKUZMMFH-UHFFFAOYSA-N
XLogP2.95
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 59258697) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CCc1c[nH]c2ccc(NC(=O)c3cc(N4CCC5(CC4)OCCO5)nc(N4CCOCC4)n3)cc12.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is ZDQYLQYKUZMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-2-18-17-27-21-4-3-19(15-20(18)21)28-24(33)22-16-23(30-25(29-22)32-9-11-34-12-10-32)31-7-5-26(6-8-31)35-13-14-36-26/h3-4,15-17,27H,2,5-14H2,1H3,(H,28,33).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59258697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).