N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C24H32N8O3 — CID 55623727

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N8O3/c1-5-7-11-30(20-21(26)31(12-8-6-2)24(35)29-23(20)34)19(33)10-9-18-15(3)28-22-17(13-25)14-27-32(22)16(18)4/h14H,5-12,26H2,1-4H3,(H,29,34,35)
InChIKeyMYMBSSIEBGQQGJ-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.22
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 55623727) has the molecular formula C24H32N8O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID55623727
Molecular FormulaC24H32N8O3
Molecular Weight480.57 g/mol
Exact Mass480.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N8O3/c1-5-7-11-30(20-21(26)31(12-8-6-2)24(35)29-23(20)34)19(33)10-9-18-15(3)28-22-17(13-25)14-27-32(22)16(18)4/h14H,5-12,26H2,1-4H3,(H,29,34,35)
InChIKeyMYMBSSIEBGQQGJ-UHFFFAOYSA-N
XLogP2.22
TPSA155.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55875310
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide
CID 55427067
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylbutyl)propanamide
CID 55427160
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33175445
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 55517403
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 27283033
(2-cyanophenyl)methyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide
CID 55875564
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 55882526
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide
CID 55413717
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 55623727) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is CCCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is MYMBSSIEBGQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O3/c1-5-7-11-30(20-21(26)31(12-8-6-2)24(35)29-23(20)34)19(33)10-9-18-15(3)28-22-17(13-25)14-27-32(22)16(18)4/h14H,5-12,26H2,1-4H3,(H,29,34,35).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 480.57 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 55623727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).