5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one

C21H15N7O — CID 167367184

IUPAC5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4cnc(=O)[nH]c4)cc3n2)n1
InChIInChI=1S/C21H15N7O/c1-12-3-2-4-18(26-12)20-15(11-25-28-20)16-5-6-17-19(27-16)7-13(8-22-17)14-9-23-21(29)24-10-14/h2-11H,1H3,(H,25,28)(H,23,24,29)
InChIKeyXIXSTFRMGCHOBI-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.14
Rot. Bonds3

About 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one

5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one (PubChem CID 167367184) has the molecular formula C21H15N7O and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one
PubChem CID167367184
Molecular FormulaC21H15N7O
Molecular Weight381.40 g/mol
Exact Mass381.13
IUPAC Name5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4cnc(=O)[nH]c4)cc3n2)n1
InChIInChI=1S/C21H15N7O/c1-12-3-2-4-18(26-12)20-15(11-25-28-20)16-5-6-17-19(27-16)7-13(8-22-17)14-9-23-21(29)24-10-14/h2-11H,1H3,(H,25,28)(H,23,24,29)
InChIKeyXIXSTFRMGCHOBI-UHFFFAOYSA-N
XLogP3.14
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one (CID 167367184) is 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4cnc(=O)[nH]c4)cc3n2)n1.
What is the InChIKey of 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is XIXSTFRMGCHOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O/c1-12-3-2-4-18(26-12)20-15(11-25-28-20)16-5-6-17-19(27-16)7-13(8-22-17)14-9-23-21(29)24-10-14/h2-11H,1H3,(H,25,28)(H,23,24,29).
What are the key properties of 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one?
5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 381.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 167367184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).