7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole

C19H26N4 — CID 120848325

IUPAC7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESCc1cnn(CC2CCN(Cc3cccc4c3NCC4)CC2)c1
InChIInChI=1S/C19H26N4/c1-15-11-21-23(12-15)13-16-6-9-22(10-7-16)14-18-4-2-3-17-5-8-20-19(17)18/h2-4,11-12,16,20H,5-10,13-14H2,1H3
InChIKeyXTZSOWQRCADXGL-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.07
Rot. Bonds4

About 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole

7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole (PubChem CID 120848325) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
PubChem CID120848325
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESCc1cnn(CC2CCN(Cc3cccc4c3NCC4)CC2)c1
InChIInChI=1S/C19H26N4/c1-15-11-21-23(12-15)13-16-6-9-22(10-7-16)14-18-4-2-3-17-5-8-20-19(17)18/h2-4,11-12,16,20H,5-10,13-14H2,1H3
InChIKeyXTZSOWQRCADXGL-UHFFFAOYSA-N
XLogP3.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole (CID 120848325) is 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole is Cc1cnn(CC2CCN(Cc3cccc4c3NCC4)CC2)c1.
What is the InChIKey of 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The InChIKey is XTZSOWQRCADXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-11-21-23(12-15)13-16-6-9-22(10-7-16)14-18-4-2-3-17-5-8-20-19(17)18/h2-4,11-12,16,20H,5-10,13-14H2,1H3.
What are the key properties of 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole has a molecular weight of 310.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 120848325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).