N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine

C23H24F3N7O — CID 71556455

IUPACN-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCn1cc(CNCC2CCN(c3ncc(-c4noc(C(F)(F)F)n4)cn3)CC2)c2ccccc21
InChIInChI=1S/C23H24F3N7O/c1-32-14-17(18-4-2-3-5-19(18)32)11-27-10-15-6-8-33(9-7-15)22-28-12-16(13-29-22)20-30-21(34-31-20)23(24,25)26/h2-5,12-15,27H,6-11H2,1H3
InChIKeyUZRWZPFHPRBTBF-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.04
Rot. Bonds6

About N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine

N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine (PubChem CID 71556455) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
PubChem CID71556455
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCn1cc(CNCC2CCN(c3ncc(-c4noc(C(F)(F)F)n4)cn3)CC2)c2ccccc21
InChIInChI=1S/C23H24F3N7O/c1-32-14-17(18-4-2-3-5-19(18)32)11-27-10-15-6-8-33(9-7-15)22-28-12-16(13-29-22)20-30-21(34-31-20)23(24,25)26/h2-5,12-15,27H,6-11H2,1H3
InChIKeyUZRWZPFHPRBTBF-UHFFFAOYSA-N
XLogP4.04
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine 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 N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine (CID 71556455) is N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine is Cn1cc(CNCC2CCN(c3ncc(-c4noc(C(F)(F)F)n4)cn3)CC2)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The InChIKey is UZRWZPFHPRBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O/c1-32-14-17(18-4-2-3-5-19(18)32)11-27-10-15-6-8-33(9-7-15)22-28-12-16(13-29-22)20-30-21(34-31-20)23(24,25)26/h2-5,12-15,27H,6-11H2,1H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine has a molecular weight of 471.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 71556455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).