N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

C21H21N5O — CID 59453666

IUPACN-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)Oc1cccc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C21H21N5O/c1-15(2)27-18-5-3-4-16(12-18)13-23-20-6-7-21-24-14-19(26(21)25-20)17-8-10-22-11-9-17/h3-12,14-15H,13H2,1-2H3,(H,23,25)
InChIKeyBBKRPSUPRXHKPE-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.19
Rot. Bonds6

About N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 59453666) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID59453666
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)Oc1cccc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C21H21N5O/c1-15(2)27-18-5-3-4-16(12-18)13-23-20-6-7-21-24-14-19(26(21)25-20)17-8-10-22-11-9-17/h3-12,14-15H,13H2,1-2H3,(H,23,25)
InChIKeyBBKRPSUPRXHKPE-UHFFFAOYSA-N
XLogP4.19
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (CID 59453666) is N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is CC(C)Oc1cccc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1.
What is the InChIKey of N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BBKRPSUPRXHKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15(2)27-18-5-3-4-16(12-18)13-23-20-6-7-21-24-14-19(26(21)25-20)17-8-10-22-11-9-17/h3-12,14-15H,13H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 359.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 59453666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).