acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol

C19H25N5O5 — CID 155972300

IUPACacetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol
SMILESCC(=O)O.CC(=O)O.OC1(Cn2ccnc2-c2cccc3ccnn23)CCNC1
InChIInChI=1S/C15H17N5O.2C2H4O2/c21-15(5-7-16-10-15)11-19-9-8-17-14(19)13-3-1-2-12-4-6-18-20(12)13;2*1-2(3)4/h1-4,6,8-9,16,21H,5,7,10-11H2;2*1H3,(H,3,4)
InChIKeyLUSTXBWIMSLVAW-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.10
Rot. Bonds3

About acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol

acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 155972300) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Nameacetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol
PubChem CID155972300
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Nameacetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol
SMILESCC(=O)O.CC(=O)O.OC1(Cn2ccnc2-c2cccc3ccnn23)CCNC1
InChIInChI=1S/C15H17N5O.2C2H4O2/c21-15(5-7-16-10-15)11-19-9-8-17-14(19)13-3-1-2-12-4-6-18-20(12)13;2*1-2(3)4/h1-4,6,8-9,16,21H,5,7,10-11H2;2*1H3,(H,3,4)
InChIKeyLUSTXBWIMSLVAW-UHFFFAOYSA-N
XLogP1.10
TPSA141.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol (CID 155972300) is acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol is CC(=O)O.CC(=O)O.OC1(Cn2ccnc2-c2cccc3ccnn23)CCNC1.
What is the InChIKey of acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is LUSTXBWIMSLVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.2C2H4O2/c21-15(5-7-16-10-15)11-19-9-8-17-14(19)13-3-1-2-12-4-6-18-20(12)13;2*1-2(3)4/h1-4,6,8-9,16,21H,5,7,10-11H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol?
acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 403.44 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 155972300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).