6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

C20H26N6O4 — CID 171664726

IUPAC6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCC(C)CN1C(O)=C(C(=O)NC2CC2)C(=O)N2NCC(C(=O)Nc3ccccn3)C12
InChIInChI=1S/C20H26N6O4/c1-11(2)10-25-18-13(16(27)24-14-5-3-4-8-21-14)9-22-26(18)20(30)15(19(25)29)17(28)23-12-6-7-12/h3-5,8,11-13,18,22,29H,6-7,9-10H2,1-2H3,(H,23,28)(H,21,24,27)
InChIKeyNYOCOPHLOGCQDI-UHFFFAOYSA-N
MW414.47 g/mol
LogP0.33
Rot. Bonds6

About 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 171664726) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID171664726
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC Name6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCC(C)CN1C(O)=C(C(=O)NC2CC2)C(=O)N2NCC(C(=O)Nc3ccccn3)C12
InChIInChI=1S/C20H26N6O4/c1-11(2)10-25-18-13(16(27)24-14-5-3-4-8-21-14)9-22-26(18)20(30)15(19(25)29)17(28)23-12-6-7-12/h3-5,8,11-13,18,22,29H,6-7,9-10H2,1-2H3,(H,23,28)(H,21,24,27)
InChIKeyNYOCOPHLOGCQDI-UHFFFAOYSA-N
XLogP0.33
TPSA126.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 171664726) is 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is CC(C)CN1C(O)=C(C(=O)NC2CC2)C(=O)N2NCC(C(=O)Nc3ccccn3)C12.
What is the InChIKey of 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is NYOCOPHLOGCQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-11(2)10-25-18-13(16(27)24-14-5-3-4-8-21-14)9-22-26(18)20(30)15(19(25)29)17(28)23-12-6-7-12/h3-5,8,11-13,18,22,29H,6-7,9-10H2,1-2H3,(H,23,28)(H,21,24,27).
What are the key properties of 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 414.47 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-N-pyridin-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 171664726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).