5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C22H24N6O2 — CID 75100563

IUPAC5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(C2c3nc[nH]c3CCN2CC2CNNC2c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C22H24N6O2/c1-2-7-23-17(3-1)22-21-16(24-12-25-21)6-8-28(22)11-15-10-26-27-20(15)14-4-5-18-19(9-14)30-13-29-18/h1-5,7,9,12,15,20,22,26-27H,6,8,10-11,13H2,(H,24,25)
InChIKeyUROIHHNSCYKQIK-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.95
Rot. Bonds4

About 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 75100563) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID75100563
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(C2c3nc[nH]c3CCN2CC2CNNC2c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C22H24N6O2/c1-2-7-23-17(3-1)22-21-16(24-12-25-21)6-8-28(22)11-15-10-26-27-20(15)14-4-5-18-19(9-14)30-13-29-18/h1-5,7,9,12,15,20,22,26-27H,6,8,10-11,13H2,(H,24,25)
InChIKeyUROIHHNSCYKQIK-UHFFFAOYSA-N
XLogP1.95
TPSA87.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-5-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethenylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95868995
4-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 74588363
(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95194123
(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95218766
methyl 2-[[(4R)-4-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29147826
methyl 2-[[4-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648854
3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 124906882
methyl 2-[[(4R)-4-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate
CID 29147283
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
CID 52986589
2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
CID 74790752
N-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 74774993
N-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-3-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 52986592

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 75100563) is 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1ccc(C2c3nc[nH]c3CCN2CC2CNNC2c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is UROIHHNSCYKQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-2-7-23-17(3-1)22-21-16(24-12-25-21)6-8-28(22)11-15-10-26-27-20(15)14-4-5-18-19(9-14)30-13-29-18/h1-5,7,9,12,15,20,22,26-27H,6,8,10-11,13H2,(H,24,25).
What are the key properties of 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 404.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 75100563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).