(NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine

C24H27N5O3 — CID 52932589

IUPAC(NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESCN1CCCN(CCOc2ccc3oc(-c4cc5cccn5cn4)c/c(=N/O)c3c2)CC1
InChIInChI=1S/C24H27N5O3/c1-27-7-3-8-28(11-10-27)12-13-31-19-5-6-23-20(15-19)21(26-30)16-24(32-23)22-14-18-4-2-9-29(18)17-25-22/h2,4-6,9,14-17,30H,3,7-8,10-13H2,1H3/b26-21-
InChIKeyRTCZASCEFHCXOT-QLYXXIJNSA-N
MW433.51 g/mol
LogP3.05
Rot. Bonds5

About (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine

(NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (PubChem CID 52932589) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
PubChem CID52932589
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name(NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESCN1CCCN(CCOc2ccc3oc(-c4cc5cccn5cn4)c/c(=N/O)c3c2)CC1
InChIInChI=1S/C24H27N5O3/c1-27-7-3-8-28(11-10-27)12-13-31-19-5-6-23-20(15-19)21(26-30)16-24(32-23)22-14-18-4-2-9-29(18)17-25-22/h2,4-6,9,14-17,30H,3,7-8,10-13H2,1H3/b26-21-
InChIKeyRTCZASCEFHCXOT-QLYXXIJNSA-N
XLogP3.05
TPSA78.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The IUPAC name of (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) is (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is CN1CCCN(CCOc2ccc3oc(-c4cc5cccn5cn4)c/c(=N/O)c3c2)CC1.
What is the InChIKey of (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The InChIKey is RTCZASCEFHCXOT-QLYXXIJNSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-27-7-3-8-28(11-10-27)12-13-31-19-5-6-23-20(15-19)21(26-30)16-24(32-23)22-14-18-4-2-9-29(18)17-25-22/h2,4-6,9,14-17,30H,3,7-8,10-13H2,1H3/b26-21-.
What are the key properties of (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
(NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine has a molecular weight of 433.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 52932589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).