8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one

C25H28N6O2 — CID 58093803

IUPAC8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCO)CC4)cc3)n2)cn1
InChIInChI=1S/C25H28N6O2/c1-30-16-20(15-27-30)22-14-19-6-9-26-25(33)23(19)24(29-22)28-21-4-2-17(3-5-21)18-7-10-31(11-8-18)12-13-32/h2-6,9,14-16,18,32H,7-8,10-13H2,1H3,(H,26,33)(H,28,29)
InChIKeyWBZATNLWUUYELS-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.24
Rot. Bonds6

About 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one

8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 58093803) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
PubChem CID58093803
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCO)CC4)cc3)n2)cn1
InChIInChI=1S/C25H28N6O2/c1-30-16-20(15-27-30)22-14-19-6-9-26-25(33)23(19)24(29-22)28-21-4-2-17(3-5-21)18-7-10-31(11-8-18)12-13-32/h2-6,9,14-16,18,32H,7-8,10-13H2,1H3,(H,26,33)(H,28,29)
InChIKeyWBZATNLWUUYELS-UHFFFAOYSA-N
XLogP3.24
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
Sdccggsk-0000274.P001
CID 10272700
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328252
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
8-[4-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175180
8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 138393334
8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753209
6-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]-3H-quinazolin-4-one
CID 136254194
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
(3-Methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-{1-[Amino(oxo)acetyl]pentyl}-2-(4-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157359

Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one (CID 58093803) is 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one is Cn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCO)CC4)cc3)n2)cn1.
What is the InChIKey of 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is WBZATNLWUUYELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-30-16-20(15-27-30)22-14-19-6-9-26-25(33)23(19)24(29-22)28-21-4-2-17(3-5-21)18-7-10-31(11-8-18)12-13-32/h2-6,9,14-16,18,32H,7-8,10-13H2,1H3,(H,26,33)(H,28,29).
What are the key properties of 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one?
8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 444.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).