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

C24H20N4O3 — CID 75964258

IUPACN-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESON=c1cc(-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
InChIKeyCJUIANKZCHWFSD-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.44
Rot. Bonds6

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

N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (PubChem CID 75964258) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
PubChem CID75964258
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESON=c1cc(-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
InChIKeyCJUIANKZCHWFSD-UHFFFAOYSA-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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Related Compounds

1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(morpholinomethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11504226
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]pyridine
CID 18678176
3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-imidazo[4,5-c]pyridine
CID 18678179
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]pyridine 5-oxide
CID 23553327
3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-imidazo[4,5-c]pyridine 5-oxide
CID 23553328
cis-1-(3-(Benzyloxy)phenyl)-3-(3-(piperidin-1-ylmethyl)cyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44438933
cis-1-(3-(Benzyloxy)phenyl)-3-(3-(morpholinomethyl)cyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44438937
(NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine
CID 51352627
4-[4-(3-Methoxyphenyl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 59244510
(NE)-N-[6-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 87305070
(NE)-N-[6-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 89106981

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The IUPAC name of N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (CID 75964258) is N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is ON=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCCc3ccncc3)cc12.
What is the InChIKey of N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The InChIKey is CJUIANKZCHWFSD-UHFFFAOYSA-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.
What are the key properties of N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
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 N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 75964258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).