formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine

C20H25N5O2 — CID 143176095

IUPACformaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine
SMILESC=O.COC1CCN(c2cc(-c3c[nH]cc3C)n(-c3cccnc3)n2)CC1
InChIInChI=1S/C19H23N5O.CH2O/c1-14-11-21-13-17(14)18-10-19(23-8-5-16(25-2)6-9-23)22-24(18)15-4-3-7-20-12-15;1-2/h3-4,7,10-13,16,21H,5-6,8-9H2,1-2H3;1H2
InChIKeyMUWPGYVJCFEMTC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.00
Rot. Bonds4

About formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine

formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine (PubChem CID 143176095) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Nameformaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine
PubChem CID143176095
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Nameformaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine
SMILESC=O.COC1CCN(c2cc(-c3c[nH]cc3C)n(-c3cccnc3)n2)CC1
InChIInChI=1S/C19H23N5O.CH2O/c1-14-11-21-13-17(14)18-10-19(23-8-5-16(25-2)6-9-23)22-24(18)15-4-3-7-20-12-15;1-2/h3-4,7,10-13,16,21H,5-6,8-9H2,1-2H3;1H2
InChIKeyMUWPGYVJCFEMTC-UHFFFAOYSA-N
XLogP3.00
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine?
The IUPAC name of formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine (CID 143176095) is formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine.
What is the SMILES notation for formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine?
The canonical SMILES for formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine is C=O.COC1CCN(c2cc(-c3c[nH]cc3C)n(-c3cccnc3)n2)CC1.
What is the InChIKey of formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine?
The InChIKey is MUWPGYVJCFEMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.CH2O/c1-14-11-21-13-17(14)18-10-19(23-8-5-16(25-2)6-9-23)22-24(18)15-4-3-7-20-12-15;1-2/h3-4,7,10-13,16,21H,5-6,8-9H2,1-2H3;1H2.
What are the key properties of formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine?
formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine has a molecular weight of 367.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 143176095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).