(3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one

C27H28N6O3 — CID 87055521

IUPAC(3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C27H28N6O3/c34-25-8-12-33(27(25)35)21-6-10-32(11-7-21)17-18-13-19-1-3-22(14-24(19)28-15-18)36-26-4-2-20(16-29-26)23-5-9-30-31-23/h1-5,9,13-16,21,25,34H,6-8,10-12,17H2,(H,30,31)/t25-/m0/s1
InChIKeyVRNHRFCAVNZHII-VWLOTQADSA-N
MW484.56 g/mol
LogP3.37
Rot. Bonds6

About (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one

(3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 87055521) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID87055521
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name(3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C27H28N6O3/c34-25-8-12-33(27(25)35)21-6-10-32(11-7-21)17-18-13-19-1-3-22(14-24(19)28-15-18)36-26-4-2-20(16-29-26)23-5-9-30-31-23/h1-5,9,13-16,21,25,34H,6-8,10-12,17H2,(H,30,31)/t25-/m0/s1
InChIKeyVRNHRFCAVNZHII-VWLOTQADSA-N
XLogP3.37
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(4-Methyl-piperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethanone
CID 10276818
LY2109761
CID 11655119
1-[4-[2-[4-(1-Phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
CID 70683518
US9573957, Example 129
CID 117819833
US9573957, Example 126
CID 117820524
US9573957, Example 128
CID 117820536
US9573957, Example 118
CID 117820661
US9573957, Example 140
CID 117820767
US9573957, Example 123
CID 117820882
2-Hydroxy-1-[4-[[7-[(5-pyrazolidin-3-yl-2-pyridinyl)oxy]quinolin-3-yl]methyl]piperazin-1-yl]ethanone
CID 124221601
1-[4-[[7-[(5-Pyrazolidin-3-yl-2-pyridinyl)oxy]quinolin-3-yl]methyl]piperazin-1-yl]ethanone
CID 124221602
2-hydroxy-1-[(3R)-3-[methyl-[[7-[(5-pyrazolidin-3-yl-2-pyridinyl)oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone
CID 124221609

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one (CID 87055521) is (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one is O=C1[C@@H](O)CCN1C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1.
What is the InChIKey of (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is VRNHRFCAVNZHII-VWLOTQADSA-N. The full InChI is InChI=1S/C27H28N6O3/c34-25-8-12-33(27(25)35)21-6-10-32(11-7-21)17-18-13-19-1-3-22(14-24(19)28-15-18)36-26-4-2-20(16-29-26)23-5-9-30-31-23/h1-5,9,13-16,21,25,34H,6-8,10-12,17H2,(H,30,31)/t25-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
(3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 484.56 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 87055521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).