4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one

C22H25N5O3 — CID 169236283

IUPAC4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
SMILESCn1nc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)cc(N2CCC3OCCC32)c1=O
InChIInChI=1S/C22H25N5O3/c1-22(7-8-22)30-13-3-4-15-14(11-13)20(24-23-15)16-12-18(21(28)26(2)25-16)27-9-5-19-17(27)6-10-29-19/h3-4,11-12,17,19H,5-10H2,1-2H3,(H,23,24)
InChIKeyVFMACVSWFWDSLX-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.62
Rot. Bonds4

About 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one

4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one (PubChem CID 169236283) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
PubChem CID169236283
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
SMILESCn1nc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)cc(N2CCC3OCCC32)c1=O
InChIInChI=1S/C22H25N5O3/c1-22(7-8-22)30-13-3-4-15-14(11-13)20(24-23-15)16-12-18(21(28)26(2)25-16)27-9-5-19-17(27)6-10-29-19/h3-4,11-12,17,19H,5-10H2,1-2H3,(H,23,24)
InChIKeyVFMACVSWFWDSLX-UHFFFAOYSA-N
XLogP2.62
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one with MolForge

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Related Compounds

4-[(7R)-7-(hydroxymethyl)-1,4-oxazepan-4-yl]-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236529
4-(2,2-dimethyl-1,4-oxazepan-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236499
4-[(4R)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236509
5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole
CID 165136680
2-methyl-8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 78324899
5-(1-methylcyclopropyl)oxy-3-[6-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-4-yl]-1H-indazole
CID 90398252
2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 90398437
3-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 90398232
8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 118657092
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 78324278
3-[6-(3-iodopyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138096

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one?
The IUPAC name of 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one (CID 169236283) is 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one.
What is the SMILES notation for 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one?
The canonical SMILES for 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one is Cn1nc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)cc(N2CCC3OCCC32)c1=O.
What is the InChIKey of 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one?
The InChIKey is VFMACVSWFWDSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(7-8-22)30-13-3-4-15-14(11-13)20(24-23-15)16-12-18(21(28)26(2)25-16)27-9-5-19-17(27)6-10-29-19/h3-4,11-12,17,19H,5-10H2,1-2H3,(H,23,24).
What are the key properties of 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one?
4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one has a molecular weight of 407.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one is sourced from PubChem (CID 169236283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).