4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C14H19N5O — CID 106781374

IUPAC4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1cnn(C(C)C)c1-c1ncnc2c1CNCC2
InChIInChI=1S/C14H19N5O/c1-9(2)19-14(12(20-3)7-18-19)13-10-6-15-5-4-11(10)16-8-17-13/h7-9,15H,4-6H2,1-3H3
InChIKeyXUCVSTWDBICEJG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.58
Rot. Bonds3

About 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 106781374) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID106781374
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1cnn(C(C)C)c1-c1ncnc2c1CNCC2
InChIInChI=1S/C14H19N5O/c1-9(2)19-14(12(20-3)7-18-19)13-10-6-15-5-4-11(10)16-8-17-13/h7-9,15H,4-6H2,1-3H3
InChIKeyXUCVSTWDBICEJG-UHFFFAOYSA-N
XLogP1.58
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 106781374) is 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1cnn(C(C)C)c1-c1ncnc2c1CNCC2.
What is the InChIKey of 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is XUCVSTWDBICEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)19-14(12(20-3)7-18-19)13-10-6-15-5-4-11(10)16-8-17-13/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 273.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 106781374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).