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

C24H29N5O2 — CID 56576607

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(c1ccc2[nH]ccc2c1)C(C)CC(C)C
InChIInChI=1S/C24H29N5O2/c1-14(2)10-15(3)28(19-6-7-21-18(11-19)8-9-25-21)24(31)12-20-16(4)26-22-13-23(30)27-29(22)17(20)5/h6-9,11,13-15,25H,10,12H2,1-5H3,(H,27,30)
InChIKeyKOKPOZNTJCQPAX-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.13
Rot. Bonds6

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

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide (PubChem CID 56576607) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide
PubChem CID56576607
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(c1ccc2[nH]ccc2c1)C(C)CC(C)C
InChIInChI=1S/C24H29N5O2/c1-14(2)10-15(3)28(19-6-7-21-18(11-19)8-9-25-21)24(31)12-20-16(4)26-22-13-23(30)27-29(22)17(20)5/h6-9,11,13-15,25H,10,12H2,1-5H3,(H,27,30)
InChIKeyKOKPOZNTJCQPAX-UHFFFAOYSA-N
XLogP4.13
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide with MolForge

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Related Compounds

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide
CID 60618201
(4-chloro-2-methylphenyl) 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 56531627
N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide
CID 56531541
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 56576894
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 56531961
5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 95282086
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111483473
N-(1H-indol-5-yl)-6-methyl-N-(4-methylpentan-2-yl)-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60617918
N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 63716577
propan-2-yl 3-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-3-phenylpropanoate
CID 56531842
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 56532024
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 56531612

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide (CID 56576607) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(c1ccc2[nH]ccc2c1)C(C)CC(C)C.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide?
The InChIKey is KOKPOZNTJCQPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-14(2)10-15(3)28(19-6-7-21-18(11-19)8-9-25-21)24(31)12-20-16(4)26-22-13-23(30)27-29(22)17(20)5/h6-9,11,13-15,25H,10,12H2,1-5H3,(H,27,30).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 56576607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).