N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine

C24H20N4O3S — CID 173145657

IUPACN-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2sc3cnccc3c2Nc2ccc3c(c2)CC/C3=N/O)cc1
InChIInChI=1S/C24H20N4O3S/c1-31-17-6-2-14(3-7-17)22(28-30)24-23(19-10-11-25-13-21(19)32-24)26-16-5-8-18-15(12-16)4-9-20(18)27-29/h2-3,5-8,10-13,26,29-30H,4,9H2,1H3/b27-20-,28-22?
InChIKeyOULVJBMLVXEKQV-NWQKFLHFSA-N
MW444.52 g/mol
LogP5.40
Rot. Bonds5

About N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine

N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 173145657) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID173145657
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC NameN-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2sc3cnccc3c2Nc2ccc3c(c2)CC/C3=N/O)cc1
InChIInChI=1S/C24H20N4O3S/c1-31-17-6-2-14(3-7-17)22(28-30)24-23(19-10-11-25-13-21(19)32-24)26-16-5-8-18-15(12-16)4-9-20(18)27-29/h2-3,5-8,10-13,26,29-30H,4,9H2,1H3/b27-20-,28-22?
InChIKeyOULVJBMLVXEKQV-NWQKFLHFSA-N
XLogP5.40
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.52
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

Analyze N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine with MolForge

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Related Compounds

N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 141171254
[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methanone
CID 87868179
N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 73226000
(NZ)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53325802
(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 141171263
N-[3-[(1E)-1-hydroxyimino-2,3-dihydroindene-5-carbonyl]thieno[2,3-c]pyridin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 87867963
N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 137231015
3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]-N-(pyrimidin-2-ylmethyl)furo[2,3-c]pyridine-2-carboxamide
CID 73225914
N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide
CID 73226069
N-[5-[[2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 73226067
(NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135510620
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine (CID 173145657) is N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine is COc1ccc(C(=NO)c2sc3cnccc3c2Nc2ccc3c(c2)CC/C3=N/O)cc1.
What is the InChIKey of N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is OULVJBMLVXEKQV-NWQKFLHFSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-31-17-6-2-14(3-7-17)22(28-30)24-23(19-10-11-25-13-21(19)32-24)26-16-5-8-18-15(12-16)4-9-20(18)27-29/h2-3,5-8,10-13,26,29-30H,4,9H2,1H3/b27-20-,28-22?.
What are the key properties of N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine?
N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 444.52 g/mol, XLogP of 5.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 173145657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).