2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C26H29N5O2 — CID 24819299

IUPAC2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C26H29N5O2/c1-29-17-19(21-7-3-5-9-23(21)29)18-30-15-12-20(13-16-30)31-25(11-14-27-31)28-26(32)22-8-4-6-10-24(22)33-2/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,32)
InChIKeyBJTKXFBFOMTTGV-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.47
Rot. Bonds6

About 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24819299) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24819299
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C26H29N5O2/c1-29-17-19(21-7-3-5-9-23(21)29)18-30-15-12-20(13-16-30)31-25(11-14-27-31)28-26(32)22-8-4-6-10-24(22)33-2/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,32)
InChIKeyBJTKXFBFOMTTGV-UHFFFAOYSA-N
XLogP4.47
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24819299) is 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cn(C)c3ccccc23)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is BJTKXFBFOMTTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-29-17-19(21-7-3-5-9-23(21)29)18-30-15-12-20(13-16-30)31-25(11-14-27-31)28-26(32)22-8-4-6-10-24(22)33-2/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,32).
What are the key properties of 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24819299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).