8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C22H22N4O4 — CID 156790549

IUPAC8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCC(=O)O2)oc2c1-c1nn(Cc3ccccn3)cc1CC2
InChIInChI=1S/C22H22N4O4/c1-13-19-17(30-21(13)22(28)24-10-16-6-8-18(27)29-16)7-5-14-11-26(25-20(14)19)12-15-4-2-3-9-23-15/h2-4,9,11,16H,5-8,10,12H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyYPGHHEUAXXQWEX-MRXNPFEDSA-N
MW406.44 g/mol
LogP2.43
Rot. Bonds5

About 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 156790549) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID156790549
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCC(=O)O2)oc2c1-c1nn(Cc3ccccn3)cc1CC2
InChIInChI=1S/C22H22N4O4/c1-13-19-17(30-21(13)22(28)24-10-16-6-8-18(27)29-16)7-5-14-11-26(25-20(14)19)12-15-4-2-3-9-23-15/h2-4,9,11,16H,5-8,10,12H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyYPGHHEUAXXQWEX-MRXNPFEDSA-N
XLogP2.43
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-methyl-N-(oxan-2-ylmethyl)-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790615
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethyl)-8-methyl-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517448
8-methyl-N-[[(2S,3R)-3-methyloxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517977
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
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
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
N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523053
2-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790624
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
2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166095989
3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide
CID 156517139
N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096056

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 156790549) is 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)NC[C@H]2CCC(=O)O2)oc2c1-c1nn(Cc3ccccn3)cc1CC2.
What is the InChIKey of 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is YPGHHEUAXXQWEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13-19-17(30-21(13)22(28)24-10-16-6-8-18(27)29-16)7-5-14-11-26(25-20(14)19)12-15-4-2-3-9-23-15/h2-4,9,11,16H,5-8,10,12H2,1H3,(H,24,28)/t16-/m1/s1.
What are the key properties of 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 156790549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).