(NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine

C24H20N4O3 — CID 52931680

IUPAC(NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESO/N=c1/cc(-c2cc3cccn3cn2)oc2ccc(OCCCc3ccncc3)cc12
InChIInChI=1S/C24H20N4O3/c29-27-21-15-24(22-13-18-4-1-11-28(18)16-26-22)31-23-6-5-19(14-20(21)23)30-12-2-3-17-7-9-25-10-8-17/h1,4-11,13-16,29H,2-3,12H2/b27-21-
InChIKeyCJUIANKZCHWFSD-MEFGMAGPSA-N
MW412.45 g/mol
LogP4.44
Rot. Bonds6

About (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine

(NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (PubChem CID 52931680) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
PubChem CID52931680
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name(NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESO/N=c1/cc(-c2cc3cccn3cn2)oc2ccc(OCCCc3ccncc3)cc12
InChIInChI=1S/C24H20N4O3/c29-27-21-15-24(22-13-18-4-1-11-28(18)16-26-22)31-23-6-5-19(14-20(21)23)30-12-2-3-17-7-9-25-10-8-17/h1,4-11,13-16,29H,2-3,12H2/b27-21-
InChIKeyCJUIANKZCHWFSD-MEFGMAGPSA-N
XLogP4.44
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (CID 52931680) is (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is O/N=c1/cc(-c2cc3cccn3cn2)oc2ccc(OCCCc3ccncc3)cc12.
What is the InChIKey of (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The InChIKey is CJUIANKZCHWFSD-MEFGMAGPSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-27-21-15-24(22-13-18-4-1-11-28(18)16-26-22)31-23-6-5-19(14-20(21)23)30-12-2-3-17-7-9-25-10-8-17/h1,4-11,13-16,29H,2-3,12H2/b27-21-.
What are the key properties of (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
(NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine has a molecular weight of 412.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 52931680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).