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

C23H29N5O2 — CID 153187206

IUPAC1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCn1cc(-c2cnc3cnc(CC(=O)C4CCN(CC(C)(C)O)CC4)cc3c2)cn1
InChIInChI=1S/C23H29N5O2/c1-23(2,30)15-28-6-4-16(5-7-28)22(29)10-20-9-17-8-18(11-25-21(17)13-24-20)19-12-26-27(3)14-19/h8-9,11-14,16,30H,4-7,10,15H2,1-3H3
InChIKeyWHHWNVYZFKKYSD-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.62
Rot. Bonds6

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

1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 153187206) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID153187206
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCn1cc(-c2cnc3cnc(CC(=O)C4CCN(CC(C)(C)O)CC4)cc3c2)cn1
InChIInChI=1S/C23H29N5O2/c1-23(2,30)15-28-6-4-16(5-7-28)22(29)10-20-9-17-8-18(11-25-21(17)13-24-20)19-12-26-27(3)14-19/h8-9,11-14,16,30H,4-7,10,15H2,1-3H3
InChIKeyWHHWNVYZFKKYSD-UHFFFAOYSA-N
XLogP2.62
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluoropiperidin-1-yl)-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 147972137
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158656022
1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158989738
1-[1-(hydroxymethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 159155935
1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434
1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one
CID 158867553
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-2-ylmethyl)piperidin-4-yl]ethanone
CID 160974379
2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid
CID 158970012
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]ethanone
CID 147197229
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-[1,1,2,3,3-pentadeuterio-2-(trideuteriomethyl)butyl]piperidin-4-yl]ethanone
CID 158366231
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide;molecular hydrogen
CID 142583654
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (CID 153187206) is 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is Cn1cc(-c2cnc3cnc(CC(=O)C4CCN(CC(C)(C)O)CC4)cc3c2)cn1.
What is the InChIKey of 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is WHHWNVYZFKKYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-23(2,30)15-28-6-4-16(5-7-28)22(29)10-20-9-17-8-18(11-25-21(17)13-24-20)19-12-26-27(3)14-19/h8-9,11-14,16,30H,4-7,10,15H2,1-3H3.
What are the key properties of 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 407.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 153187206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).