N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H29N5O4 — CID 171664783

IUPACN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccncc1C1CC2N(CC(C)(C)C)C(O)=C(C(=O)NC3CC3)C(=O)N2N1
InChIInChI=1S/C21H29N5O4/c1-21(2,3)11-25-16-9-14(13-10-22-8-7-15(13)30-4)24-26(16)20(29)17(19(25)28)18(27)23-12-5-6-12/h7-8,10,12,14,16,24,28H,5-6,9,11H2,1-4H3,(H,23,27)
InChIKeyUZNUHOOLSQFIGB-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.60
Rot. Bonds5

About N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 171664783) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID171664783
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC NameN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccncc1C1CC2N(CC(C)(C)C)C(O)=C(C(=O)NC3CC3)C(=O)N2N1
InChIInChI=1S/C21H29N5O4/c1-21(2,3)11-25-16-9-14(13-10-22-8-7-15(13)30-4)24-26(16)20(29)17(19(25)28)18(27)23-12-5-6-12/h7-8,10,12,14,16,24,28H,5-6,9,11H2,1-4H3,(H,23,27)
InChIKeyUZNUHOOLSQFIGB-UHFFFAOYSA-N
XLogP1.60
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.60
H-Bond Donors ≤ 53
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 N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 171664783) is N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccncc1C1CC2N(CC(C)(C)C)C(O)=C(C(=O)NC3CC3)C(=O)N2N1.
What is the InChIKey of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UZNUHOOLSQFIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-21(2,3)11-25-16-9-14(13-10-22-8-7-15(13)30-4)24-26(16)20(29)17(19(25)28)18(27)23-12-5-6-12/h7-8,10,12,14,16,24,28H,5-6,9,11H2,1-4H3,(H,23,27).
What are the key properties of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-(4-methoxy-3-pyridinyl)-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 171664783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).