2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide

C24H28N6O3 — CID 56545162

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C24H28N6O3/c1-16-20(17(2)30-22(25-16)15-24(32)27-30)14-23(31)26-19-3-4-21-18(13-19)5-6-29(21)8-7-28-9-11-33-12-10-28/h3-6,13,15H,7-12,14H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUETVRFAWSPAUIJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.11
Rot. Bonds6

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide (PubChem CID 56545162) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide
PubChem CID56545162
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C24H28N6O3/c1-16-20(17(2)30-22(25-16)15-24(32)27-30)14-23(31)26-19-3-4-21-18(13-19)5-6-29(21)8-7-28-9-11-33-12-10-28/h3-6,13,15H,7-12,14H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUETVRFAWSPAUIJ-UHFFFAOYSA-N
XLogP2.11
TPSA96.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide (CID 56545162) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide?
The InChIKey is UETVRFAWSPAUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-20(17(2)30-22(25-16)15-24(32)27-30)14-23(31)26-19-3-4-21-18(13-19)5-6-29(21)8-7-28-9-11-33-12-10-28/h3-6,13,15H,7-12,14H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide is sourced from PubChem (CID 56545162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).