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

C23H29N5O — CID 159778819

IUPAC1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)C1
InChIInChI=1S/C23H29N5O/c1-16(2)13-28-6-4-5-17(15-28)23(29)9-21-7-18-8-22(20-12-26-27(3)14-20)25-11-19(18)10-24-21/h7-8,10-12,14,16-17H,4-6,9,13,15H2,1-3H3/t17-/m1/s1
InChIKeyNHCCLKRGFOUKJC-QGZVFWFLSA-N
MW391.52 g/mol
LogP3.51
Rot. Bonds6

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

1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 159778819) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID159778819
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)C1
InChIInChI=1S/C23H29N5O/c1-16(2)13-28-6-4-5-17(15-28)23(29)9-21-7-18-8-22(20-12-26-27(3)14-20)25-11-19(18)10-24-21/h7-8,10-12,14,16-17H,4-6,9,13,15H2,1-3H3/t17-/m1/s1
InChIKeyNHCCLKRGFOUKJC-QGZVFWFLSA-N
XLogP3.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 159778819) is 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is CC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)C1.
What is the InChIKey of 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is NHCCLKRGFOUKJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16(2)13-28-6-4-5-17(15-28)23(29)9-21-7-18-8-22(20-12-26-27(3)14-20)25-11-19(18)10-24-21/h7-8,10-12,14,16-17H,4-6,9,13,15H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 391.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 159778819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).