N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide

C19H31N7O2 — CID 35757276

IUPACN-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2nc3c(C)nn(C)c3c(=O)n2CCC)CC1
InChIInChI=1S/C19H31N7O2/c1-5-7-8-20-19(28)25-12-10-24(11-13-25)18-21-15-14(3)22-23(4)16(15)17(27)26(18)9-6-2/h5-13H2,1-4H3,(H,20,28)
InChIKeyXDGCVFOJKBEQKH-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.48
Rot. Bonds6

About N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide

N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide (PubChem CID 35757276) has the molecular formula C19H31N7O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide
PubChem CID35757276
Molecular FormulaC19H31N7O2
Molecular Weight389.50 g/mol
Exact Mass389.25
IUPAC NameN-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2nc3c(C)nn(C)c3c(=O)n2CCC)CC1
InChIInChI=1S/C19H31N7O2/c1-5-7-8-20-19(28)25-12-10-24(11-13-25)18-21-15-14(3)22-23(4)16(15)17(27)26(18)9-6-2/h5-13H2,1-4H3,(H,20,28)
InChIKeyXDGCVFOJKBEQKH-UHFFFAOYSA-N
XLogP1.48
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide (CID 35757276) is N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2nc3c(C)nn(C)c3c(=O)n2CCC)CC1.
What is the InChIKey of N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide?
The InChIKey is XDGCVFOJKBEQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O2/c1-5-7-8-20-19(28)25-12-10-24(11-13-25)18-21-15-14(3)22-23(4)16(15)17(27)26(18)9-6-2/h5-13H2,1-4H3,(H,20,28).
What are the key properties of N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide?
N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 35757276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).