N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine

C22H22N8O — CID 129315509

IUPACN-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1Nc1ccnnc1
InChIInChI=1S/C22H22N8O/c1-15-21(28-18-3-5-25-26-13-18)29-22(27-15)20-11-16(2-4-24-20)17-10-19(14-23-12-17)30-6-8-31-9-7-30/h2-5,10-14H,6-9H2,1H3,(H,25,28)(H,27,29)
InChIKeyXLQURVQUBOLXMW-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.21
Rot. Bonds5

About N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine

N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine (PubChem CID 129315509) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine.

Molecular Properties

Compound NameN-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine
PubChem CID129315509
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1Nc1ccnnc1
InChIInChI=1S/C22H22N8O/c1-15-21(28-18-3-5-25-26-13-18)29-22(27-15)20-11-16(2-4-24-20)17-10-19(14-23-12-17)30-6-8-31-9-7-30/h2-5,10-14H,6-9H2,1H3,(H,25,28)(H,27,29)
InChIKeyXLQURVQUBOLXMW-UHFFFAOYSA-N
XLogP3.21
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine?
The IUPAC name of N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine (CID 129315509) is N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine.
What is the SMILES notation for N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine?
The canonical SMILES for N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1Nc1ccnnc1.
What is the InChIKey of N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine?
The InChIKey is XLQURVQUBOLXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-15-21(28-18-3-5-25-26-13-18)29-22(27-15)20-11-16(2-4-24-20)17-10-19(14-23-12-17)30-6-8-31-9-7-30/h2-5,10-14H,6-9H2,1H3,(H,25,28)(H,27,29).
What are the key properties of N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine?
N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine has a molecular weight of 414.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]pyridazin-4-amine is sourced from PubChem (CID 129315509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).