4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

C21H27N7O2 — CID 35757170

IUPAC4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCCn1c(N2CCN(C(=O)Nc3ccccc3C)CC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C21H27N7O2/c1-5-28-19(29)18-17(15(3)24-25(18)4)23-20(28)26-10-12-27(13-11-26)21(30)22-16-9-7-6-8-14(16)2/h6-9H,5,10-13H2,1-4H3,(H,22,30)
InChIKeyGUILHBQRTWOEFK-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.12
Rot. Bonds3

About 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 35757170) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID35757170
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCCn1c(N2CCN(C(=O)Nc3ccccc3C)CC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C21H27N7O2/c1-5-28-19(29)18-17(15(3)24-25(18)4)23-20(28)26-10-12-27(13-11-26)21(30)22-16-9-7-6-8-14(16)2/h6-9H,5,10-13H2,1-4H3,(H,22,30)
InChIKeyGUILHBQRTWOEFK-UHFFFAOYSA-N
XLogP2.12
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 35757176
6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 35757143
N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide
CID 35757276
5-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-6-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757152
1,3-dimethyl-5-[4-(3-phenylpropanoyl)piperazin-1-yl]-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757264
1,3-dimethyl-5-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757284
5-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-6-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757193
5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35758380
5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757289
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 90507025

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide (CID 35757170) is 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide is CCn1c(N2CCN(C(=O)Nc3ccccc3C)CC2)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is GUILHBQRTWOEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-5-28-19(29)18-17(15(3)24-25(18)4)23-20(28)26-10-12-27(13-11-26)21(30)22-16-9-7-6-8-14(16)2/h6-9H,5,10-13H2,1-4H3,(H,22,30).
What are the key properties of 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 35757170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).