N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C23H29N5O2 — CID 24793059

IUPACN-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]c(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1
InChIInChI=1S/C23H29N5O2/c1-15-19-13-18(30-2)5-6-20(19)25-21(15)14-27-11-8-17(9-12-27)28-22(7-10-24-28)26-23(29)16-3-4-16/h5-7,10,13,16-17,25H,3-4,8-9,11-12,14H2,1-2H3,(H,26,29)
InChIKeyUJULEHRFPOZBSY-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.87
Rot. Bonds6

About N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24793059) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24793059
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]c(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1
InChIInChI=1S/C23H29N5O2/c1-15-19-13-18(30-2)5-6-20(19)25-21(15)14-27-11-8-17(9-12-27)28-22(7-10-24-28)26-23(29)16-3-4-16/h5-7,10,13,16-17,25H,3-4,8-9,11-12,14H2,1-2H3,(H,26,29)
InChIKeyUJULEHRFPOZBSY-UHFFFAOYSA-N
XLogP3.87
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24793059) is N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is COc1ccc2[nH]c(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1.
What is the InChIKey of N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is UJULEHRFPOZBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-19-13-18(30-2)5-6-20(19)25-21(15)14-27-11-8-17(9-12-27)28-22(7-10-24-28)26-23(29)16-3-4-16/h5-7,10,13,16-17,25H,3-4,8-9,11-12,14H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24793059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).