N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine

C21H17N5O4 — CID 154429002

IUPACN-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESON=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCOn3ccnc3)cc12
InChIInChI=1S/C21H17N5O4/c27-24-18-12-21(19-10-15-2-1-6-25(15)14-23-19)30-20-4-3-16(11-17(18)20)28-8-9-29-26-7-5-22-13-26/h1-7,10-14,27H,8-9H2
InChIKeyXSFWYWBHHOYDRW-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.74
Rot. Bonds6

About N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine

N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (PubChem CID 154429002) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
PubChem CID154429002
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC NameN-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESON=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCOn3ccnc3)cc12
InChIInChI=1S/C21H17N5O4/c27-24-18-12-21(19-10-15-2-1-6-25(15)14-23-19)30-20-4-3-16(11-17(18)20)28-8-9-29-26-7-5-22-13-26/h1-7,10-14,27H,8-9H2
InChIKeyXSFWYWBHHOYDRW-UHFFFAOYSA-N
XLogP2.74
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The IUPAC name of N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (CID 154429002) is N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is ON=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCOn3ccnc3)cc12.
What is the InChIKey of N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The InChIKey is XSFWYWBHHOYDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c27-24-18-12-21(19-10-15-2-1-6-25(15)14-23-19)30-20-4-3-16(11-17(18)20)28-8-9-29-26-7-5-22-13-26/h1-7,10-14,27H,8-9H2.
What are the key properties of N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine has a molecular weight of 403.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-imidazol-1-yloxyethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 154429002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).