2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone

C19H21N5O — CID 161367974

IUPAC2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)[C@@H]4CCCNC4)cc3n2)cn1
InChIInChI=1S/C19H21N5O/c1-24-12-15(11-22-24)17-5-4-13-10-21-16(7-18(13)23-17)8-19(25)14-3-2-6-20-9-14/h4-5,7,10-12,14,20H,2-3,6,8-9H2,1H3/t14-/m1/s1
InChIKeyVQBMBTIJAKNJTM-CQSZACIVSA-N
MW335.41 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone

2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone (PubChem CID 161367974) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
PubChem CID161367974
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)[C@@H]4CCCNC4)cc3n2)cn1
InChIInChI=1S/C19H21N5O/c1-24-12-15(11-22-24)17-5-4-13-10-21-16(7-18(13)23-17)8-19(25)14-3-2-6-20-9-14/h4-5,7,10-12,14,20H,2-3,6,8-9H2,1H3/t14-/m1/s1
InChIKeyVQBMBTIJAKNJTM-CQSZACIVSA-N
XLogP2.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone (CID 161367974) is 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone is Cn1cc(-c2ccc3cnc(CC(=O)[C@@H]4CCCNC4)cc3n2)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone?
The InChIKey is VQBMBTIJAKNJTM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24-12-15(11-22-24)17-5-4-13-10-21-16(7-18(13)23-17)8-19(25)14-3-2-6-20-9-14/h4-5,7,10-12,14,20H,2-3,6,8-9H2,1H3/t14-/m1/s1.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone?
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone is sourced from PubChem (CID 161367974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).