2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone

C22H21N5O2 — CID 158941384

IUPAC2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone
SMILESCC(C)Oc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)cnc3cn2)ccn1
InChIInChI=1S/C22H21N5O2/c1-14(2)29-22-8-15(4-5-23-22)21(28)9-19-7-16-6-17(10-25-20(16)12-24-19)18-11-26-27(3)13-18/h4-8,10-14H,9H2,1-3H3
InChIKeyJKHHDFNQVTYKMZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.64
Rot. Bonds6

About 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone

2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone (PubChem CID 158941384) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone
PubChem CID158941384
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone
SMILESCC(C)Oc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)cnc3cn2)ccn1
InChIInChI=1S/C22H21N5O2/c1-14(2)29-22-8-15(4-5-23-22)21(28)9-19-7-16-6-17(10-25-20(16)12-24-19)18-11-26-27(3)13-18/h4-8,10-14H,9H2,1-3H3
InChIKeyJKHHDFNQVTYKMZ-UHFFFAOYSA-N
XLogP3.64
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone?
The IUPAC name of 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone (CID 158941384) is 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone.
What is the SMILES notation for 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone?
The canonical SMILES for 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone is CC(C)Oc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)cnc3cn2)ccn1.
What is the InChIKey of 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone?
The InChIKey is JKHHDFNQVTYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(2)29-22-8-15(4-5-23-22)21(28)9-19-7-16-6-17(10-25-20(16)12-24-19)18-11-26-27(3)13-18/h4-8,10-14H,9H2,1-3H3.
What are the key properties of 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone?
2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone has a molecular weight of 387.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone is sourced from PubChem (CID 158941384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).