2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide

C23H25N5O4 — CID 22552144

IUPAC2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3cccnc3)cc1CC2
InChIInChI=1S/C23H25N5O4/c1-15-20-18(32-22(15)23(30)27-7-9-31-10-8-27)5-4-17-13-28(26-21(17)20)14-19(29)25-12-16-3-2-6-24-11-16/h2-3,6,11,13H,4-5,7-10,12,14H2,1H3,(H,25,29)
InChIKeyXSBZTZYAYRSYBS-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.73
Rot. Bonds5

About 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 22552144) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID22552144
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3cccnc3)cc1CC2
InChIInChI=1S/C23H25N5O4/c1-15-20-18(32-22(15)23(30)27-7-9-31-10-8-27)5-4-17-13-28(26-21(17)20)14-19(29)25-12-16-3-2-6-24-11-16/h2-3,6,11,13H,4-5,7-10,12,14H2,1H3,(H,25,29)
InChIKeyXSBZTZYAYRSYBS-UHFFFAOYSA-N
XLogP1.73
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide
CID 22552220
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523053
3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(pyridin-3-ylmethyl)-1-benzofuran-7-sulfonamide
CID 53105219
2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 45106491
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 53015719
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 4277938
N-[(E)-[3-methyl-2-(morpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-phenylacetamide
CID 19159984
2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166095989
N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096056
N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-(pyrimidin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517484

Frequently Asked Questions

What is the IUPAC name of 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 22552144) is 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3cccnc3)cc1CC2.
What is the InChIKey of 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XSBZTZYAYRSYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-15-20-18(32-22(15)23(30)27-7-9-31-10-8-27)5-4-17-13-28(26-21(17)20)14-19(29)25-12-16-3-2-6-24-11-16/h2-3,6,11,13H,4-5,7-10,12,14H2,1H3,(H,25,29).
What are the key properties of 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 435.48 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 22552144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).