6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H20ClN5O — CID 135861864

IUPAC6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nn(C)c(Cl)c1CN1CCc2nc(C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C16H20ClN5O/c1-9-11(14(17)21(2)20-9)7-22-6-5-13-12(8-22)16(23)19-15(18-13)10-3-4-10/h10H,3-8H2,1-2H3,(H,18,19,23)
InChIKeyQZGSWJARKMDDFO-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.90
Rot. Bonds3

About 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861864) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135861864
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nn(C)c(Cl)c1CN1CCc2nc(C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C16H20ClN5O/c1-9-11(14(17)21(2)20-9)7-22-6-5-13-12(8-22)16(23)19-15(18-13)10-3-4-10/h10H,3-8H2,1-2H3,(H,18,19,23)
InChIKeyQZGSWJARKMDDFO-UHFFFAOYSA-N
XLogP1.90
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861864) is 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nn(C)c(Cl)c1CN1CCc2nc(C3CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is QZGSWJARKMDDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-9-11(14(17)21(2)20-9)7-22-6-5-13-12(8-22)16(23)19-15(18-13)10-3-4-10/h10H,3-8H2,1-2H3,(H,18,19,23).
What are the key properties of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 333.82 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).