N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

C24H24N6O3 — CID 91952530

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)c3cnc(N4CCOCC4)nc3-c3ccncc3)cc21
InChIInChI=1S/C24H24N6O3/c1-24(2)18-13-16(3-4-19(18)28-22(24)32)27-21(31)17-14-26-23(30-9-11-33-12-10-30)29-20(17)15-5-7-25-8-6-15/h3-8,13-14H,9-12H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyGMHBGGAZQQHCNP-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.86
Rot. Bonds4

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 91952530) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID91952530
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)c3cnc(N4CCOCC4)nc3-c3ccncc3)cc21
InChIInChI=1S/C24H24N6O3/c1-24(2)18-13-16(3-4-19(18)28-22(24)32)27-21(31)17-14-26-23(30-9-11-33-12-10-30)29-20(17)15-5-7-25-8-6-15/h3-8,13-14H,9-12H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyGMHBGGAZQQHCNP-UHFFFAOYSA-N
XLogP2.86
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 91952530) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is CC1(C)C(=O)Nc2ccc(NC(=O)c3cnc(N4CCOCC4)nc3-c3ccncc3)cc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is GMHBGGAZQQHCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-24(2)18-13-16(3-4-19(18)28-22(24)32)27-21(31)17-14-26-23(30-9-11-33-12-10-30)29-20(17)15-5-7-25-8-6-15/h3-8,13-14H,9-12H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).