N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide

C21H22N6O4 — CID 118226928

IUPACN-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
SMILESC[C@@H](CO)NC(=O)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1
InChIInChI=1S/C21H22N6O4/c1-13(12-28)24-21(29)15-2-3-19-23-11-16(27(19)25-15)18-10-14-17(31-18)4-5-22-20(14)26-6-8-30-9-7-26/h2-5,10-11,13,28H,6-9,12H2,1H3,(H,24,29)/t13-/m0/s1
InChIKeyPVRBWFBXZIVHES-ZDUSSCGKSA-N
MW422.45 g/mol
LogP1.48
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 118226928) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID118226928
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
SMILESC[C@@H](CO)NC(=O)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1
InChIInChI=1S/C21H22N6O4/c1-13(12-28)24-21(29)15-2-3-19-23-11-16(27(19)25-15)18-10-14-17(31-18)4-5-22-20(14)26-6-8-30-9-7-26/h2-5,10-11,13,28H,6-9,12H2,1H3,(H,24,29)/t13-/m0/s1
InChIKeyPVRBWFBXZIVHES-ZDUSSCGKSA-N
XLogP1.48
TPSA118.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide (CID 118226928) is N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide is C[C@@H](CO)NC(=O)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is PVRBWFBXZIVHES-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-13(12-28)24-21(29)15-2-3-19-23-11-16(27(19)25-15)18-10-14-17(31-18)4-5-22-20(14)26-6-8-30-9-7-26/h2-5,10-11,13,28H,6-9,12H2,1H3,(H,24,29)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 118226928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).