(NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C20H15N5O2 — CID 135401910

IUPAC(NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(Nc3c(-c4ncccn4)oc4cnccc34)ccc21
InChIInChI=1S/C20H15N5O2/c26-25-16-5-2-12-10-13(3-4-14(12)16)24-18-15-6-9-21-11-17(15)27-19(18)20-22-7-1-8-23-20/h1,3-4,6-11,24,26H,2,5H2/b25-16+
InChIKeyLURMQHFSSZDCGM-PCLIKHOPSA-N
MW357.37 g/mol
LogP4.15
Rot. Bonds3

About (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 135401910) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID135401910
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name(NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(Nc3c(-c4ncccn4)oc4cnccc34)ccc21
InChIInChI=1S/C20H15N5O2/c26-25-16-5-2-12-10-13(3-4-14(12)16)24-18-15-6-9-21-11-17(15)27-19(18)20-22-7-1-8-23-20/h1,3-4,6-11,24,26H,2,5H2/b25-16+
InChIKeyLURMQHFSSZDCGM-PCLIKHOPSA-N
XLogP4.15
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

YM-201636
CID 9956222
3-[(5-Hydroxynaphthalen-2-Yl)amino]-N-(Pyrimidin-4-Yl)furo[2,3-C]pyridine-2-Carboxamide
CID 16044861
6-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)naphthalen-1-ol
CID 16045086
5-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)isoindolin-1-one oxime
CID 136160805
N-(4-methylphenyl)-4-benzofuro[3,2-d]pyrimidinamine
CID 1398093
2-ethyl-N-(pyridin-4-yl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602808
5-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)-2,3-dihydro-1h-inden-1-one
CID 16045087
(NE)-N-[5-[[2-(4-methylphenyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 16045682
N-(7-methyl-1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53319339
N-(1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53323287
6-(2-(5-((4-Methylpiperazin-1-yl)methyl)pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)naphthalen-1-ol
CID 53325922
2-(2-propan-2-ylphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]furo[3,2-d]pyrimidin-4-amine
CID 60167905

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 135401910) is (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1\CCc2cc(Nc3c(-c4ncccn4)oc4cnccc34)ccc21.
What is the InChIKey of (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is LURMQHFSSZDCGM-PCLIKHOPSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-25-16-5-2-12-10-13(3-4-14(12)16)24-18-15-6-9-21-11-17(15)27-19(18)20-22-7-1-8-23-20/h1,3-4,6-11,24,26H,2,5H2/b25-16+.
What are the key properties of (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 357.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135401910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).