[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone

C22H25FN4O — CID 42606576

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C22H25FN4O/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-27(11-9-22)21(28)20-12-17-4-2-3-5-19(17)26-20/h2-7,12-13,24,26H,8-11,14-15H2,1H3
InChIKeyVIWJSCZVMRBSFD-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.61
Rot. Bonds5

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 42606576) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID42606576
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C22H25FN4O/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-27(11-9-22)21(28)20-12-17-4-2-3-5-19(17)26-20/h2-7,12-13,24,26H,8-11,14-15H2,1H3
InChIKeyVIWJSCZVMRBSFD-UHFFFAOYSA-N
XLogP3.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone (CID 42606576) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is VIWJSCZVMRBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-27(11-9-22)21(28)20-12-17-4-2-3-5-19(17)26-20/h2-7,12-13,24,26H,8-11,14-15H2,1H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 380.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 42606576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).