[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid

C24H27N7O4 — CID 90358255

IUPAC[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid
SMILESCN(C)[C@@H]1CCN(c2nccc3oc(-c4cnc5ccc(OC6CC(NC(=O)O)C6)nn45)cc23)C1
InChIInChI=1S/C24H27N7O4/c1-29(2)15-6-8-30(13-15)23-17-11-20(35-19(17)5-7-25-23)18-12-26-21-3-4-22(28-31(18)21)34-16-9-14(10-16)27-24(32)33/h3-5,7,11-12,14-16,27H,6,8-10,13H2,1-2H3,(H,32,33)/t14?,15-,16?/m1/s1
InChIKeyFPFMVPHREUMIBX-HWOWSKLDSA-N
MW477.53 g/mol
LogP2.86
Rot. Bonds6

About [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid

[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid (PubChem CID 90358255) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid
PubChem CID90358255
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC Name[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid
SMILESCN(C)[C@@H]1CCN(c2nccc3oc(-c4cnc5ccc(OC6CC(NC(=O)O)C6)nn45)cc23)C1
InChIInChI=1S/C24H27N7O4/c1-29(2)15-6-8-30(13-15)23-17-11-20(35-19(17)5-7-25-23)18-12-26-21-3-4-22(28-31(18)21)34-16-9-14(10-16)27-24(32)33/h3-5,7,11-12,14-16,27H,6,8-10,13H2,1-2H3,(H,32,33)/t14?,15-,16?/m1/s1
InChIKeyFPFMVPHREUMIBX-HWOWSKLDSA-N
XLogP2.86
TPSA121.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid with MolForge

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Related Compounds

(5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 90358198
3-[3-[4-[(2R)-2-methylmorpholin-4-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 78320110
3-[3-(4-ethoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71621411
2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(4-phenylpiperazin-1-yl)furo[3,2-c]pyridine
CID 90358449
N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide
CID 90358581
3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine
CID 123467029
4-[(3S)-3-methylpiperazin-1-yl]-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 78324492
4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 123369102
tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate
CID 161036562
5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 123513480
2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-[(3R)-3-methylmorpholin-4-yl]furo[3,2-c]pyridine
CID 90358369
N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
CID 118227019

Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid?
The IUPAC name of [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid (CID 90358255) is [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid.
What is the SMILES notation for [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid?
The canonical SMILES for [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid is CN(C)[C@@H]1CCN(c2nccc3oc(-c4cnc5ccc(OC6CC(NC(=O)O)C6)nn45)cc23)C1.
What is the InChIKey of [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid?
The InChIKey is FPFMVPHREUMIBX-HWOWSKLDSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-29(2)15-6-8-30(13-15)23-17-11-20(35-19(17)5-7-25-23)18-12-26-21-3-4-22(28-31(18)21)34-16-9-14(10-16)27-24(32)33/h3-5,7,11-12,14-16,27H,6,8-10,13H2,1-2H3,(H,32,33)/t14?,15-,16?/m1/s1.
What are the key properties of [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid?
[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid has a molecular weight of 477.53 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid is sourced from PubChem (CID 90358255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).