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

C25H23N5O4 — CID 156517448

IUPACN-(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
SMILESCc1c(C(=O)NCC2COc3ncccc3O2)oc2c1-c1nn(Cc3ccccn3)cc1CC2
InChIInChI=1S/C25H23N5O4/c1-15-21-19(8-7-16-12-30(29-22(16)21)13-17-5-2-3-9-26-17)34-23(15)24(31)28-11-18-14-32-25-20(33-18)6-4-10-27-25/h2-6,9-10,12,18H,7-8,11,13-14H2,1H3,(H,28,31)
InChIKeyDKFPGMQLGZWZFZ-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.96
Rot. Bonds5

About 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

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 (PubChem CID 156517448) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID156517448
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN-(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
SMILESCc1c(C(=O)NCC2COc3ncccc3O2)oc2c1-c1nn(Cc3ccccn3)cc1CC2
InChIInChI=1S/C25H23N5O4/c1-15-21-19(8-7-16-12-30(29-22(16)21)13-17-5-2-3-9-26-17)34-23(15)24(31)28-11-18-14-32-25-20(33-18)6-4-10-27-25/h2-6,9-10,12,18H,7-8,11,13-14H2,1H3,(H,28,31)
InChIKeyDKFPGMQLGZWZFZ-UHFFFAOYSA-N
XLogP2.96
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790549
8-methyl-N-(oxan-2-ylmethyl)-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790615
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
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
N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523053
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523038
8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
CID 156517598
8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790657
8-(1,1-difluoroethyl)-N,2-bis[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517584
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(=O)NCC2COc3ncccc3O2)oc2c1-c1nn(Cc3ccccn3)cc1CC2.
What is the InChIKey of 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?
The InChIKey is DKFPGMQLGZWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-15-21-19(8-7-16-12-30(29-22(16)21)13-17-5-2-3-9-26-17)34-23(15)24(31)28-11-18-14-32-25-20(33-18)6-4-10-27-25/h2-6,9-10,12,18H,7-8,11,13-14H2,1H3,(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 457.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156517448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).