2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide

C22H21N5O4 — CID 177233015

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2c1CN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C22H21N5O4/c28-20(11-14-3-4-18-19(10-14)31-9-8-30-18)24-21-16-13-27(7-5-17(16)25-26-21)22(29)15-2-1-6-23-12-15/h1-4,6,10,12H,5,7-9,11,13H2,(H2,24,25,26,28)
InChIKeyYFPYEISOWXGNDV-UHFFFAOYSA-N
MW419.44 g/mol
LogP1.96
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 177233015) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide
PubChem CID177233015
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2c1CN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C22H21N5O4/c28-20(11-14-3-4-18-19(10-14)31-9-8-30-18)24-21-16-13-27(7-5-17(16)25-26-21)22(29)15-2-1-6-23-12-15/h1-4,6,10,12H,5,7-9,11,13H2,(H2,24,25,26,28)
InChIKeyYFPYEISOWXGNDV-UHFFFAOYSA-N
XLogP1.96
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylpyrazol-4-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 177233466
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808457
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233074
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233443
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110803001
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
CID 3318786
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 108749983
4-amino-N-[5-(pyridine-3-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 165180351
[5-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109234647
1,3-benzodioxol-5-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808446
N-(7-chloro-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233484
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 177233015) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide is O=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2c1CN(C(=O)c1cccnc1)CC2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide?
The InChIKey is YFPYEISOWXGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c28-20(11-14-3-4-18-19(10-14)31-9-8-30-18)24-21-16-13-27(7-5-17(16)25-26-21)22(29)15-2-1-6-23-12-15/h1-4,6,10,12H,5,7-9,11,13H2,(H2,24,25,26,28).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 419.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 177233015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).