5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine

C44H48N8O4 — CID 157329529

IUPAC5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine
SMILESCn1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cn2)cn1.Cn1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cn2)cn1
InChIInChI=1S/2C22H24N4O2/c2*1-25-15-18(13-24-25)19-6-4-16(12-23-19)14-26-8-2-3-20(26)17-5-7-21-22(11-17)28-10-9-27-21/h2*4-7,11-13,15,20H,2-3,8-10,14H2,1H3/t2*20-/m10/s1
InChIKeyBFCVOBDPYQKUSJ-ZCLATKBISA-N
MW752.92 g/mol
LogP7.18
Rot. Bonds8

About 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine

5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine (PubChem CID 157329529) has the molecular formula C44H48N8O4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine
PubChem CID157329529
Molecular FormulaC44H48N8O4
Molecular Weight752.92 g/mol
Exact Mass752.38
IUPAC Name5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine
SMILESCn1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cn2)cn1.Cn1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cn2)cn1
InChIInChI=1S/2C22H24N4O2/c2*1-25-15-18(13-24-25)19-6-4-16(12-23-19)14-26-8-2-3-20(26)17-5-7-21-22(11-17)28-10-9-27-21/h2*4-7,11-13,15,20H,2-3,8-10,14H2,1H3/t2*20-/m10/s1
InChIKeyBFCVOBDPYQKUSJ-ZCLATKBISA-N
XLogP7.18
TPSA104.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine with MolForge

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Related Compounds

2-Methyl-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
CID 44530458
1-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyridin-3-ylmethyl)piperazine
CID 16191513
2-Methyl-5-[1-[(3-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(3-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
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US11274108, Example 1-22
CID 137405025
2-(1-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-2-yl)pyridine
CID 16191039
4-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-6-methoxyquinoline
CID 44425384
4-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]-6-methoxyquinoline
CID 44425385
4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine
CID 127030802
(S)-[1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 42521687
(1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 164637244
3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
CID 11546491
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CID 11704685

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine (CID 157329529) is 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine is Cn1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cn2)cn1.Cn1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cn2)cn1.
What is the InChIKey of 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is BFCVOBDPYQKUSJ-ZCLATKBISA-N. The full InChI is InChI=1S/2C22H24N4O2/c2*1-25-15-18(13-24-25)19-6-4-16(12-23-19)14-26-8-2-3-20(26)17-5-7-21-22(11-17)28-10-9-27-21/h2*4-7,11-13,15,20H,2-3,8-10,14H2,1H3/t2*20-/m10/s1.
What are the key properties of 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine?
5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 752.92 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 157329529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).