(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

C23H25N5O — CID 87623644

IUPAC(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCC1CCN(n2cc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C23H25N5O/c1-16-8-12-27(13-9-16)28-15-21(23(25-28)17-6-10-24-11-7-17)19-2-4-20-18(14-19)3-5-22(20)26-29/h2,4,6-7,10-11,14-16,29H,3,5,8-9,12-13H2,1H3/b26-22+
InChIKeyQPROAMYIMIWMOV-XTCLZLMSSA-N
MW387.49 g/mol
LogP4.10
Rot. Bonds3

About (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 87623644) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID87623644
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCC1CCN(n2cc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C23H25N5O/c1-16-8-12-27(13-9-16)28-15-21(23(25-28)17-6-10-24-11-7-17)19-2-4-20-18(14-19)3-5-22(20)26-29/h2,4,6-7,10-11,14-16,29H,3,5,8-9,12-13H2,1H3/b26-22+
InChIKeyQPROAMYIMIWMOV-XTCLZLMSSA-N
XLogP4.10
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3R)-3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol
CID 44587047
2-[4-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]isoindole-1,3-dione
CID 156777729
N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 72983699
(NE)-N-[5-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135466457
2-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl-methylamino]isoindole-1,3-dione
CID 135156663
2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione
CID 146567363
2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione
CID 135173958
2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione
CID 135147141
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-[3-[[3-[4-[4-[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]azetidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione
CID 178178851
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 135173664
2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]cyclohexyl]oxypiperidin-1-yl]isoindole-1,3-dione
CID 175335666
N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide
CID 136635970

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 87623644) is (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is CC1CCN(n2cc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)n2)CC1.
What is the InChIKey of (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is QPROAMYIMIWMOV-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-8-12-27(13-9-16)28-15-21(23(25-28)17-6-10-24-11-7-17)19-2-4-20-18(14-19)3-5-22(20)26-29/h2,4,6-7,10-11,14-16,29H,3,5,8-9,12-13H2,1H3/b26-22+.
What are the key properties of (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 387.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 87623644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).