2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide

C20H21N5O3 — CID 75455469

IUPAC2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NC1C(=O)Nc2ccc(C(C)C)cc21
InChIInChI=1S/C20H21N5O3/c1-10(2)12-4-5-15-14(8-12)18(19(27)23-15)24-17(26)9-13-11(3)22-16-6-7-21-25(16)20(13)28/h4-8,10,18,21H,9H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyKXYLGJKBVPMKIC-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.81
Rot. Bonds4

About 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide

2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide (PubChem CID 75455469) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide
PubChem CID75455469
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NC1C(=O)Nc2ccc(C(C)C)cc21
InChIInChI=1S/C20H21N5O3/c1-10(2)12-4-5-15-14(8-12)18(19(27)23-15)24-17(26)9-13-11(3)22-16-6-7-21-25(16)20(13)28/h4-8,10,18,21H,9H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyKXYLGJKBVPMKIC-UHFFFAOYSA-N
XLogP1.81
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide (CID 75455469) is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NC1C(=O)Nc2ccc(C(C)C)cc21.
What is the InChIKey of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is KXYLGJKBVPMKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-10(2)12-4-5-15-14(8-12)18(19(27)23-15)24-17(26)9-13-11(3)22-16-6-7-21-25(16)20(13)28/h4-8,10,18,21H,9H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide?
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 75455469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).