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

C22H28N4O4 — CID 22552149

IUPACN-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide
SMILESCc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NC3CCCC3)cc1CC2
InChIInChI=1S/C22H28N4O4/c1-14-19-17(30-21(14)22(28)25-8-10-29-11-9-25)7-6-15-12-26(24-20(15)19)13-18(27)23-16-4-2-3-5-16/h12,16H,2-11,13H2,1H3,(H,23,27)
InChIKeyXZKNGISPXAJPMU-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.08
Rot. Bonds4

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

N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide (PubChem CID 22552149) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide
PubChem CID22552149
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide
SMILESCc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NC3CCCC3)cc1CC2
InChIInChI=1S/C22H28N4O4/c1-14-19-17(30-21(14)22(28)25-8-10-29-11-9-25)7-6-15-12-26(24-20(15)19)13-18(27)23-16-4-2-3-5-16/h12,16H,2-11,13H2,1H3,(H,23,27)
InChIKeyXZKNGISPXAJPMU-UHFFFAOYSA-N
XLogP2.08
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate
CID 6625461
2-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxylic acid
CID 156517703
2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 53015719
N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517499
8-methyl-N-(oxan-2-ylmethyl)-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790615
2-(2,2-difluoro-2-pyridin-2-ylethyl)-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517960
N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523001
2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517880
2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119519390
N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523053
2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166095989

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide (CID 22552149) is N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide is Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NC3CCCC3)cc1CC2.
What is the InChIKey of N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide?
The InChIKey is XZKNGISPXAJPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-14-19-17(30-21(14)22(28)25-8-10-29-11-9-25)7-6-15-12-26(24-20(15)19)13-18(27)23-16-4-2-3-5-16/h12,16H,2-11,13H2,1H3,(H,23,27).
What are the key properties of N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide?
N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[8-methyl-7-(morpholine-4-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide is sourced from PubChem (CID 22552149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).