3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide

C22H20N6O — CID 134551721

IUPAC3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C22H20N6O/c29-22(27-19-13-23-10-8-17(19)16-4-2-1-3-5-16)18-9-11-26-28-20(14-25-21(18)28)24-12-15-6-7-15/h1-5,8-11,13-15,24H,6-7,12H2,(H,27,29)
InChIKeyUXFHOMCAQUWAHI-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.87
Rot. Bonds6

About 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide

3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551721) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551721
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C22H20N6O/c29-22(27-19-13-23-10-8-17(19)16-4-2-1-3-5-16)18-9-11-26-28-20(14-25-21(18)28)24-12-15-6-7-15/h1-5,8-11,13-15,24H,6-7,12H2,(H,27,29)
InChIKeyUXFHOMCAQUWAHI-UHFFFAOYSA-N
XLogP3.87
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-582949
CID 10409068
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
GSK-3|A inhibitor 13
CID 134551592
Imidazopyridazin 1
CID 5459373
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
N-[5-(2-Fluorophenyl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]-5-({[(3r,4r)-3-Fluoropiperidin-4-Yl]methyl}amino)pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 71307955
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551721) is 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1-c1ccccc1)c1ccnn2c(NCC3CC3)cnc12.
What is the InChIKey of 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is UXFHOMCAQUWAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22(27-19-13-23-10-8-17(19)16-4-2-1-3-5-16)18-9-11-26-28-20(14-25-21(18)28)24-12-15-6-7-15/h1-5,8-11,13-15,24H,6-7,12H2,(H,27,29).
What are the key properties of 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).