N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide

C16H25N7O — CID 35757406

IUPACN-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ncnc3c(C)nn(C)c23)CC1
InChIInChI=1S/C16H25N7O/c1-4-5-6-17-16(24)23-9-7-22(8-10-23)15-14-13(18-11-19-15)12(2)20-21(14)3/h11H,4-10H2,1-3H3,(H,17,24)
InChIKeyAIUZXPAMGCTURC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.30
Rot. Bonds4

About N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide

N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 35757406) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID35757406
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ncnc3c(C)nn(C)c23)CC1
InChIInChI=1S/C16H25N7O/c1-4-5-6-17-16(24)23-9-7-22(8-10-23)15-14-13(18-11-19-15)12(2)20-21(14)3/h11H,4-10H2,1-3H3,(H,17,24)
InChIKeyAIUZXPAMGCTURC-UHFFFAOYSA-N
XLogP1.30
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 35757393
4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide
CID 35757392
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35757436
N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide
CID 35757276
[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35757404
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 35758439
N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 21062804
N-butylaziridine-1-carboxamide
CID 55206947
[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 35757428
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
CID 133387176
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide (CID 35757406) is N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ncnc3c(C)nn(C)c23)CC1.
What is the InChIKey of N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is AIUZXPAMGCTURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-4-5-6-17-16(24)23-9-7-22(8-10-23)15-14-13(18-11-19-15)12(2)20-21(14)3/h11H,4-10H2,1-3H3,(H,17,24).
What are the key properties of N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 35757406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).