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

C22H22N4O3 — CID 75964544

IUPACN-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESON=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCN3CCCC3)cc12
InChIInChI=1S/C22H22N4O3/c27-24-19-14-22(20-12-16-4-3-9-26(16)15-23-20)29-21-6-5-17(13-18(19)21)28-11-10-25-7-1-2-8-25/h3-6,9,12-15,27H,1-2,7-8,10-11H2
InChIKeyOZBPUVPJZIHLCA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.51
Rot. Bonds5

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

N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (PubChem CID 75964544) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
PubChem CID75964544
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESON=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCN3CCCC3)cc12
InChIInChI=1S/C22H22N4O3/c27-24-19-14-22(20-12-16-4-3-9-26(16)15-23-20)29-21-6-5-17(13-18(19)21)28-11-10-25-7-1-2-8-25/h3-6,9,12-15,27H,1-2,7-8,10-11H2
InChIKeyOZBPUVPJZIHLCA-UHFFFAOYSA-N
XLogP3.51
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-piperidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride
CID 131732468
(NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 52932589
(NZ)-N-[6-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride
CID 172951203
1-[2-(4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl)oxyethyl]pyrrolidin-3-ol
CID 75964565
(NZ)-N-[6-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;dihydrochloride
CID 172933010
(NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 52932528
(NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride
CID 172948075
(NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 52931680
N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 75964258
(NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 52932461
N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide
CID 89115632
6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one
CID 67195246

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The IUPAC name of N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (CID 75964544) is N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is ON=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCN3CCCC3)cc12.
What is the InChIKey of N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The InChIKey is OZBPUVPJZIHLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-24-19-14-22(20-12-16-4-3-9-26(16)15-23-20)29-21-6-5-17(13-18(19)21)28-11-10-25-7-1-2-8-25/h3-6,9,12-15,27H,1-2,7-8,10-11H2.
What are the key properties of N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine has a molecular weight of 390.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-pyrrolidin-1-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 75964544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).