N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine

C28H40N6O — CID 121426406

IUPACN-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2c(NC(C)(C)C)cc(N3CCOCC3)nn2c1Cc1cccc2c1CN(C(C)C)CC2
InChIInChI=1S/C28H40N6O/c1-19(2)33-11-10-21-8-7-9-22(23(21)18-33)16-25-20(3)29-27-24(30-28(4,5)6)17-26(31-34(25)27)32-12-14-35-15-13-32/h7-9,17,19,30H,10-16,18H2,1-6H3
InChIKeyYJHSPWNDAUJKEB-UHFFFAOYSA-N
MW476.67 g/mol
LogP4.44
Rot. Bonds5

About N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine

N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 121426406) has the molecular formula C28H40N6O and a molecular weight of 476.67 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID121426406
Molecular FormulaC28H40N6O
Molecular Weight476.67 g/mol
Exact Mass476.33
IUPAC NameN-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2c(NC(C)(C)C)cc(N3CCOCC3)nn2c1Cc1cccc2c1CN(C(C)C)CC2
InChIInChI=1S/C28H40N6O/c1-19(2)33-11-10-21-8-7-9-22(23(21)18-33)16-25-20(3)29-27-24(30-28(4,5)6)17-26(31-34(25)27)32-12-14-35-15-13-32/h7-9,17,19,30H,10-16,18H2,1-6H3
InChIKeyYJHSPWNDAUJKEB-UHFFFAOYSA-N
XLogP4.44
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine (CID 121426406) is N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine is Cc1nc2c(NC(C)(C)C)cc(N3CCOCC3)nn2c1Cc1cccc2c1CN(C(C)C)CC2.
What is the InChIKey of N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is YJHSPWNDAUJKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O/c1-19(2)33-11-10-21-8-7-9-22(23(21)18-33)16-25-20(3)29-27-24(30-28(4,5)6)17-26(31-34(25)27)32-12-14-35-15-13-32/h7-9,17,19,30H,10-16,18H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine?
N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 476.67 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 121426406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).