N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

C23H20N6O — CID 72983699

IUPACN-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESNCc1ccc(-n2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)n2)nc1
InChIInChI=1S/C23H20N6O/c24-12-15-1-6-22(26-13-15)29-14-20(23(27-29)16-7-9-25-10-8-16)18-2-4-19-17(11-18)3-5-21(19)28-30/h1-2,4,6-11,13-14,30H,3,5,12,24H2
InChIKeyZNRRHRJCCXLLCS-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.58
Rot. Bonds4

About N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 72983699) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID72983699
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESNCc1ccc(-n2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)n2)nc1
InChIInChI=1S/C23H20N6O/c24-12-15-1-6-22(26-13-15)29-14-20(23(27-29)16-7-9-25-10-8-16)18-2-4-19-17(11-18)3-5-21(19)28-30/h1-2,4,6-11,13-14,30H,3,5,12,24H2
InChIKeyZNRRHRJCCXLLCS-UHFFFAOYSA-N
XLogP3.58
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 72983699) is N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is NCc1ccc(-n2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)n2)nc1.
What is the InChIKey of N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is ZNRRHRJCCXLLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c24-12-15-1-6-22(26-13-15)29-14-20(23(27-29)16-7-9-25-10-8-16)18-2-4-19-17(11-18)3-5-21(19)28-30/h1-2,4,6-11,13-14,30H,3,5,12,24H2.
What are the key properties of N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 396.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 72983699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).